D268-0477 Screening compound: 2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]methyl}-3,4-dihydroquinazolin-4-one

D268-0477 Screening compound: 2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]methyl}-3,4-dihydroquinazolin-4-one
D268-0477 Screening compound: 2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]methyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D268-0477
2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]methyl}-3,4-dihydroquinazolin-4-one

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

D268-0477

Molecular Formula

C18H13N7O2 (C18 H13 N7 O2)

Compound Name

2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]methyl}-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[2-(4-amino-125-oxadiazol-3-yl)-1H-13-benzodiazol-1-yl]methyl}-34-dihydroquinazolin-4-one

SMILES

Nc1nonc1-c1nc(cccc2)c2n1CC(N1)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C18H13N7O2/c19-16-15(23-27-24-16)17-21-12-7-3-4-8-13(12)25(17)9-14-20-11-6-2-1-5-10(11)18(26)22-14/h1-8H,9H2,(H2,19,24)(H,20,22,26)

InChI Key

SGILAIWRFMGAKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.211

Distribution Coefficient, logD

2.205

Water Solubility, LogSw

-3.17

Polar Surface Area

101.914

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D268-0477 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D268-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D268-0477?
Check Price and Availability of D268-0477, 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 D268-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D268-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D268-0477
  • 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 D268-0477 available by request