7913-0235 Screening compound: N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

7913-0235 Screening compound: N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
7913-0235 Screening compound: N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7913-0235
N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

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

7913-0235

Molecular Formula

C23H19N7O2S (C23 H19 N7 O2 S)

Compound Name

N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

IUPAC name

N-(5-oxo-7-phenyl-5678-tetrahydroquinazolin-2-yl)-2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetamide

SMILES

O=C(CSc1nnnn1-c1ccccc1)Nc(nc1)nc(CC(C2)c3ccccc3)c1C2=O

InChI

InChI=1S/C23H19N7O2S/c31-20-12-16(15-7-3-1-4-8-15)11-19-18(20)13-24-22(25-19)26-21(32)14-33-23-27-28-29-30(23)17-9-5-2-6-10-17/h1-10,13,16H,11-12,14H2,(H,24,25,26,32)/t16-/m1/s1

InChI Key

JTXNEBMASZBIGN-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD04197015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.312

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.54

Polar Surface Area

97.663

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

7913-0235 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 7913-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7913-0235?
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What is the minimum amount of 7913-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7913-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7913-0235
  • 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 7913-0235 available by request