D322-0264 Screening compound: 2-(2-methylphenyl)-4-(thiophene-2-carbonyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

D322-0264 Screening compound: 2-(2-methylphenyl)-4-(thiophene-2-carbonyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]
D322-0264 Screening compound: 2-(2-methylphenyl)-4-(thiophene-2-carbonyl)-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 D322-0264
2-(2-methylphenyl)-4-(thiophene-2-carbonyl)-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

D322-0264

Molecular Formula

C26H30N4OS (C26 H30 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1nn(C2(CCCCC2)[C@H](CCCC2)[C@H]2N2C(c3cccs3)=O)c2n1

InChI

InChI=1S/C26H30N4OS/c1-18-10-3-4-11-19(18)23-27-25-29(24(31)22-14-9-17-32-22)21-13-6-5-12-20(21)26(30(25)28-23)15-7-2-8-16-26/h3-4,9-11,14,17,20-21H,2,5-8,12-13,15-16H2,1H3/t20-,21-/m0/s1

InChI Key

DRDXVDTVCNJLMY-SFTDATJTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.124

Distribution Coefficient, logD

6.124

Water Solubility, LogSw

-5.26

Polar Surface Area

38.634

Acid Dissociation Constant (pKa)

21.38

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

D322-0264 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 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:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D322-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D322-0264?
Check Price and Availability of D322-0264, 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 D322-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D322-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D322-0264
  • 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 D322-0264 available by request