G869-0963 Screening compound: N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2,4-dimethylbenzene-1-sulfonamide

G869-0963 Screening compound: N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2,4-dimethylbenzene-1-sulfonamide
G869-0963 Screening compound: N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2,4-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0963
N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2,4-dimethylbenzene-1-sulfonamide

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

G869-0963

Molecular Formula

C21H25N5O2S (C21 H25 N5 O2 S)

Compound Name

N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2,4-dimethylbenzene-1-sulfonamide

IUPAC name

N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-24-dimethylbenzene-1-sulfonamide

SMILES

CCNc1cc(C)nc(Nc(cc2)ccc2NS(c2c(C)cc(C)cc2)(=O)=O)n1

InChI

InChI=1S/C21H25N5O2S/c1-5-22-20-13-16(4)23-21(25-20)24-17-7-9-18(10-8-17)26-29(27,28)19-11-6-14(2)12-15(19)3/h6-13,26H,5H2,1-4H3,(H2,22,23,24,25)

InChI Key

ROIXOARPGJWTDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.766

Distribution Coefficient, logD

4.566

Water Solubility, LogSw

-4.46

Polar Surface Area

80.011

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G869-0963 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Autophagy-Targeted Library (4564 compounds)

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with G869-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0963?
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What is the minimum amount of G869-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0963
  • 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 G869-0963 available by request