D481-0972 Screening compound: 4-(furan-2-carbonyl)-2-(2-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

D481-0972 Screening compound: 4-(furan-2-carbonyl)-2-(2-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]
D481-0972 Screening compound: 4-(furan-2-carbonyl)-2-(2-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane] alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0972
4-(furan-2-carbonyl)-2-(2-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D481-0972

Molecular Formula

C26H30N4O3 (C26 H30 N4 O3)

Compound Name

4-(furan-2-carbonyl)-2-(2-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

IUPAC name

(4aS8aR)-4-(furan-2-carbonyl)-2-(2-methoxyphenyl)-4a56788a-hexahydro-4H-spiro[[124]triazolo[32-b]quinazoline-91'-cyclohexane]

SMILES

COc(cccc1)c1-c1nn(C2(CCCCC2)[C@H](CCCC2)[C@H]2N2C(c3ccco3)=O)c2n1

InChI

InChI=1S/C26H30N4O3/c1-32-21-13-6-3-10-18(21)23-27-25-29(24(31)22-14-9-17-33-22)20-12-5-4-11-19(20)26(30(25)28-23)15-7-2-8-16-26/h3,6,9-10,13-14,17,19-20H,2,4-5,7-8,11-12,15-16H2,1H3/t19-,20-/m0/s1

InChI Key

VZELMKBSVZUFMX-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.913

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-4.62

Polar Surface Area

53.825

Acid Dissociation Constant (pKa)

21.38

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

D481-0972 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D481-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0972?
Check Price and Availability of D481-0972, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D481-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0972
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D481-0972 available by request