D638-0050 Screening compound: 3-(3,5-difluorophenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

D638-0050 Screening compound: 3-(3,5-difluorophenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea
D638-0050 Screening compound: 3-(3,5-difluorophenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D638-0050
3-(3,5-difluorophenyl)-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

D638-0050

Molecular Formula

C25H22F2N6O (C25 H22 F2 N6 O)

Compound Name

3-(3,5-difluorophenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

IUPAC name

3-(35-difluorophenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

SMILES

Cc(cc1)ccc1Nc1cc(Nc(cc2)ccc2NC(Nc2cc(F)cc(F)c2)=O)nc(C)n1

InChI

InChI=1S/C25H22F2N6O/c1-15-3-5-19(6-4-15)30-23-14-24(29-16(2)28-23)31-20-7-9-21(10-8-20)32-25(34)33-22-12-17(26)11-18(27)13-22/h3-14H,1-2H3,(H2,32,33,34)(H2,28,29,30,31)

InChI Key

DUAVJBMWRWCHLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.49

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

6.779

Distribution Coefficient, logD

5.999

Water Solubility, LogSw

-5.66

Polar Surface Area

69.685

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

D638-0050 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 D638-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D638-0050?
Check Price and Availability of D638-0050, 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 D638-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D638-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D638-0050
  • 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 D638-0050 available by request