G858-0353 Screening compound: 3-(3-methoxyphenyl)-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G858-0353 Screening compound: 3-(3-methoxyphenyl)-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G858-0353 Screening compound: 3-(3-methoxyphenyl)-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0353
3-(3-methoxyphenyl)-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

G858-0353

Molecular Formula

C27H26N4O5S (C27 H26 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(c(cc1)cc(N=C(N2c3cc(OC)ccc3)SCc(cc3)ccc3[N+]([O-])=O)c1C2=O)=O

InChI

InChI=1S/C27H26N4O5S/c1-17(2)15-28-25(32)19-9-12-23-24(13-19)29-27(37-16-18-7-10-20(11-8-18)31(34)35)30(26(23)33)21-5-4-6-22(14-21)36-3/h4-14,17H,15-16H2,1-3H3,(H,28,32)

InChI Key

TUYHSITXXGPWMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.29

Polar Surface Area

90.770

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with G858-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0353?
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What is the minimum amount of G858-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0353
  • 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 G858-0353 available by request