7238-0001 Screening compound: 4-(1-{[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-amine

7238-0001 Screening compound: 4-(1-{[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-amine
7238-0001 Screening compound: 4-(1-{[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7238-0001
4-(1-{[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-amine

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

7238-0001

Molecular Formula

C17H13N9O (C17 H13 N9 O)

Compound Name

4-(1-{[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-amine

IUPAC name

4-(1-{[4-(2H-1234-tetrazol-5-yl)phenyl]methyl}-1H-13-benzodiazol-2-yl)-125-oxadiazol-3-amine

SMILES

Nc1nonc1-c1nc(cccc2)c2n1Cc(cc1)ccc1-c1n[nH]nn1

InChI

InChI=1S/C17H13N9O/c18-15-14(22-27-23-15)17-19-12-3-1-2-4-13(12)26(17)9-10-5-7-11(8-6-10)16-20-24-25-21-16/h1-8H,9H2,(H2,18,23)(H,20,21,24,25)

InChI Key

BPRLVEPBKUKWKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06761225

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

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

-0.164

Water Solubility, LogSw

-3.12

Polar Surface Area

117.093

Acid Dissociation Constant (pKa)

4.38

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

7238-0001 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7238-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-0001?
Check Price and Availability of 7238-0001, 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 7238-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-0001
  • 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 7238-0001 available by request