D638-0047 Screening compound: 3-(3-chloro-4-methoxyphenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

D638-0047 Screening compound: 3-(3-chloro-4-methoxyphenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea
D638-0047 Screening compound: 3-(3-chloro-4-methoxyphenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D638-0047
3-(3-chloro-4-methoxyphenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-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

D638-0047

Molecular Formula

C26H25ClN6O2 (C26 H25 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1Nc1cc(Nc(cc2)ccc2NC(Nc(cc2)cc(Cl)c2OC)=O)nc(C)n1

InChI

InChI=1S/C26H25ClN6O2/c1-16-4-6-18(7-5-16)30-24-15-25(29-17(2)28-24)31-19-8-10-20(11-9-19)32-26(34)33-21-12-13-23(35-3)22(27)14-21/h4-15H,1-3H3,(H2,32,33,34)(H2,28,29,30,31)

InChI Key

PEMWKGAMRJOVSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.827

Distribution Coefficient, logD

6.047

Water Solubility, LogSw

-6.48

Polar Surface Area

77.315

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

D638-0047 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D638-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D638-0047?
Check Price and Availability of D638-0047, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D638-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D638-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D638-0047
  • 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 D638-0047 available by request