G836-0163 Screening compound: 2-[(cyanomethyl)sulfanyl]-N-(2-methylpropyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

G836-0163 Screening compound: 2-[(cyanomethyl)sulfanyl]-N-(2-methylpropyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
G836-0163 Screening compound: 2-[(cyanomethyl)sulfanyl]-N-(2-methylpropyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0163
2-[(cyanomethyl)sulfanyl]-N-(2-methylpropyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

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

G836-0163

Molecular Formula

C23H24N4O2S (C23 H24 N4 O2 S)

Compound Name

2-[(cyanomethyl)sulfanyl]-N-(2-methylpropyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-[(cyanomethyl)sulfanyl]-N-(2-methylpropyl)-4-oxo-3-(2-phenylethyl)-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(N=C(N2CCc3ccccc3)SCC#N)c1C2=O)=O

InChI

InChI=1S/C23H24N4O2S/c1-16(2)15-25-21(28)18-8-9-19-20(14-18)26-23(30-13-11-24)27(22(19)29)12-10-17-6-4-3-5-7-17/h3-9,14,16H,10,12-13,15H2,1-2H3,(H,25,28)

InChI Key

QOPRRXSHNIRVOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.256

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.69

Polar Surface Area

68.198

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with G836-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0163?
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What is the minimum amount of G836-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0163
  • 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 G836-0163 available by request