G836-0083 Screening compound: 3-benzyl-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G836-0083 Screening compound: 3-benzyl-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G836-0083 Screening compound: 3-benzyl-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0083
3-benzyl-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-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

G836-0083

Molecular Formula

C27H26N4O4S (C27 H26 N4 O4 S)

Compound Name

3-benzyl-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-benzyl-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(N=C(N2Cc3ccccc3)SCc(cc3)ccc3[N+]([O-])=O)c1C2=O)=O

InChI

InChI=1S/C27H26N4O4S/c1-18(2)15-28-25(32)21-10-13-23-24(14-21)29-27(30(26(23)33)16-19-6-4-3-5-7-19)36-17-20-8-11-22(12-9-20)31(34)35/h3-14,18H,15-17H2,1-2H3,(H,28,32)

InChI Key

NTXGCBPPVQLENN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.819

Water Solubility, LogSw

-4.49

Polar Surface Area

83.837

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with G836-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0083?
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What is the minimum amount of G836-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0083
  • 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 G836-0083 available by request