D638-0091 Screening compound: 1-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-3-(3-methylphenyl)urea

D638-0091 Screening compound: 1-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-3-(3-methylphenyl)urea
D638-0091 Screening compound: 1-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-3-(3-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D638-0091
1-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-3-(3-methylphenyl)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

D638-0091

Molecular Formula

C25H30N6O (C25 H30 N6 O)

Compound Name

1-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-3-(3-methylphenyl)urea

IUPAC name

1-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-3-(3-methylphenyl)urea

SMILES

Cc1cccc(NC(Nc(cc2)ccc2Nc2nc(C)nc(NC3CCCCC3)c2)=O)c1

InChI

InChI=1S/C25H30N6O/c1-17-7-6-10-22(15-17)31-25(32)30-21-13-11-20(12-14-21)29-24-16-23(26-18(2)27-24)28-19-8-4-3-5-9-19/h6-7,10-16,19H,3-5,8-9H2,1-2H3,(H2,30,31,32)(H2,26,27,28,29)

InChI Key

FGOHNKULAAOJLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

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

6.345

Distribution Coefficient, logD

6.143

Water Solubility, LogSw

-5.35

Polar Surface Area

70.732

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D638-0091 in Drug Discovery

Included in Screening Libraries

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

Anti-Inflammatory Library (24602 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D638-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D638-0091?
Check Price and Availability of D638-0091, 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 D638-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D638-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D638-0091
  • 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 D638-0091 available by request