G869-0986 Screening compound: 5-chloro-N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-4-methylbenzene-1-sulfonamide

G869-0986 Screening compound: 5-chloro-N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-4-methylbenzene-1-sulfonamide
G869-0986 Screening compound: 5-chloro-N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0986
5-chloro-N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-4-methylbenzene-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

G869-0986

Molecular Formula

C21H24ClN5O3S (C21 H24 ClN5 O3 S)

Compound Name

5-chloro-N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-4-methylbenzene-1-sulfonamide

IUPAC name

5-chloro-N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-4-methylbenzene-1-sulfonamide

SMILES

CCNc1cc(C)nc(Nc(cc2)ccc2NS(c2cc(Cl)c(C)cc2OC)(=O)=O)n1

InChI

InChI=1S/C21H24ClN5O3S/c1-5-23-20-11-14(3)24-21(26-20)25-15-6-8-16(9-7-15)27-31(28,29)19-12-17(22)13(2)10-18(19)30-4/h6-12,27H,5H2,1-4H3,(H2,23,24,25,26)

InChI Key

RKBJORQJQNFLLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

4.851

Water Solubility, LogSw

-5.15

Polar Surface Area

87.642

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G869-0986 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anticancer Library (62698 compounds)

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

CORONAVIRUS Library (20774 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G869-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0986?
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What is the minimum amount of G869-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0986
  • 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 G869-0986 available by request