G869-0967 Screening compound: 4-butoxy-N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)benzene-1-sulfonamide

G869-0967 Screening compound: 4-butoxy-N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)benzene-1-sulfonamide
G869-0967 Screening compound: 4-butoxy-N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0967
4-butoxy-N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)benzene-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

G869-0967

Molecular Formula

C23H29N5O3S (C23 H29 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1S(Nc(cc1)ccc1Nc1nc(NCC)cc(C)n1)(=O)=O

InChI

InChI=1S/C23H29N5O3S/c1-4-6-15-31-20-11-13-21(14-12-20)32(29,30)28-19-9-7-18(8-10-19)26-23-25-17(3)16-22(27-23)24-5-2/h7-14,16,28H,4-6,15H2,1-3H3,(H2,24,25,26,27)

InChI Key

ZACABRBDKRXFRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.319

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-5.23

Polar Surface Area

87.429

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G869-0967 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G869-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0967?
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What is the minimum amount of G869-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0967
  • 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 G869-0967 available by request