D638-0011 Screening compound: 3-(3,5-difluorophenyl)-1-(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)urea

D638-0011 Screening compound: 3-(3,5-difluorophenyl)-1-(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)urea
D638-0011 Screening compound: 3-(3,5-difluorophenyl)-1-(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D638-0011
3-(3,5-difluorophenyl)-1-(4-{[6-(dimethylamino)-2-methylpyrimidin-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

D638-0011

Molecular Formula

C20H20F2N6O (C20 H20 F2 N6 O)

Compound Name

3-(3,5-difluorophenyl)-1-(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)urea

IUPAC name

3-(35-difluorophenyl)-1-(4-{[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino}phenyl)urea

SMILES

Cc1nc(N(C)C)cc(Nc(cc2)ccc2NC(Nc2cc(F)cc(F)c2)=O)n1

InChI

InChI=1S/C20H20F2N6O/c1-12-23-18(11-19(24-12)28(2)3)25-15-4-6-16(7-5-15)26-20(29)27-17-9-13(21)8-14(22)10-17/h4-11H,1-3H3,(H,23,24,25)(H2,26,27,29)

InChI Key

IRCKMADLLYMHMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.062

Distribution Coefficient, logD

3.805

Water Solubility, LogSw

-4.72

Polar Surface Area

62.473

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D638-0011 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D638-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D638-0011?
Check Price and Availability of D638-0011, 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 D638-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D638-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D638-0011
  • 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 D638-0011 available by request