G869-0896 Screening compound: 1-(4-chlorophenyl)-3-[4-({4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]urea

G869-0896 Screening compound: 1-(4-chlorophenyl)-3-[4-({4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]urea
G869-0896 Screening compound: 1-(4-chlorophenyl)-3-[4-({4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0896
1-(4-chlorophenyl)-3-[4-({4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]urea

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

G869-0896

Molecular Formula

C25H23ClN6O (C25 H23 ClN6 O)

Compound Name

1-(4-chlorophenyl)-3-[4-({4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]urea

IUPAC name

1-(4-chlorophenyl)-3-[4-({4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]urea

SMILES

Cc(cc1)ccc1Nc1cc(C)nc(Nc(cc2)ccc2NC(Nc(cc2)ccc2Cl)=O)n1

InChI

InChI=1S/C25H23ClN6O/c1-16-3-7-19(8-4-16)28-23-15-17(2)27-24(32-23)29-20-11-13-22(14-12-20)31-25(33)30-21-9-5-18(26)6-10-21/h3-15H,1-2H3,(H2,30,31,33)(H2,27,28,29,32)

InChI Key

JYSKRKMALCJJPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.183

Distribution Coefficient, logD

6.333

Water Solubility, LogSw

-6.44

Polar Surface Area

70.445

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

G869-0896 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G869-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0896?
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What is the minimum amount of G869-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0896
  • 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 G869-0896 available by request