D638-0041 Screening compound: 3-(3-fluoro-4-methylphenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

D638-0041 Screening compound: 3-(3-fluoro-4-methylphenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea
D638-0041 Screening compound: 3-(3-fluoro-4-methylphenyl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D638-0041
3-(3-fluoro-4-methylphenyl)-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

D638-0041

Molecular Formula

C26H25FN6O (C26 H25 FN6 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H25FN6O/c1-16-4-7-19(8-5-16)30-24-15-25(29-18(3)28-24)31-20-10-12-21(13-11-20)32-26(34)33-22-9-6-17(2)23(27)14-22/h4-15H,1-3H3,(H2,32,33,34)(H2,28,29,30,31)

InChI Key

SGYVZQMOKMOOHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

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

6.966

Distribution Coefficient, logD

6.186

Water Solubility, LogSw

-5.62

Polar Surface Area

69.685

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

D638-0041 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D638-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D638-0041?
Check Price and Availability of D638-0041, 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 D638-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D638-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D638-0041
  • 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 D638-0041 available by request