D733-0718 Screening compound: 1-isopropyl-7'-methoxy-2'-(2-thienyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

D733-0718 Screening compound: 1-isopropyl-7'-methoxy-2'-(2-thienyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
D733-0718 Screening compound: 1-isopropyl-7'-methoxy-2'-(2-thienyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound D733-0718
1-isopropyl-7'-methoxy-2'-(2-thienyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

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

D733-0718

Molecular Formula

C22H27N3O2S (C22 H27 N3 O2 S)

Compound Name

1-isopropyl-7'-methoxy-2'-(2-thienyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

IUPAC name

10'-methoxy-1-(propan-2-yl)-4'-(thiophen-2-yl)-8'-oxa-5'6'-diazaspiro[piperidine-47'-tricyclo[7.4.0.0^{26}]tridecane]-1'(9')4'10'12'-tetraene

SMILES

CC(C)N(CC1)CCC1(N(C1C2)N=C2c2cccs2)Oc2c1cccc2OC

InChI

InChI=1S/C22H27N3O2S/c1-15(2)24-11-9-22(10-12-24)25-18(14-17(23-25)20-8-5-13-28-20)16-6-4-7-19(26-3)21(16)27-22/h4-8,13,15,18H,9-12,14H2,1-3H3/t18-/m1/s1

InChI Key

VLVMKDUFEQPIAC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04004550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

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

4.640

Distribution Coefficient, logD

2.596

Water Solubility, LogSw

-4.43

Polar Surface Area

33.049

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D733-0718 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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 D733-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0718?
Check Price and Availability of D733-0718, 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 D733-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0718
  • 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 D733-0718 available by request