D638-0066 Screening compound: 3-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-1-phenylurea

D638-0066 Screening compound: 3-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-1-phenylurea
D638-0066 Screening compound: 3-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D638-0066
3-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-1-phenylurea

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

D638-0066

Molecular Formula

C24H28N6O (C24 H28 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(NC2CCCCC2)cc(Nc(cc2)ccc2NC(Nc2ccccc2)=O)n1

InChI

InChI=1S/C24H28N6O/c1-17-25-22(27-18-8-4-2-5-9-18)16-23(26-17)28-20-12-14-21(15-13-20)30-24(31)29-19-10-6-3-7-11-19/h3,6-7,10-16,18H,2,4-5,8-9H2,1H3,(H2,29,30,31)(H2,25,26,27,28)

InChI Key

KHWDJZHRTMEMFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.53

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

5.794

Distribution Coefficient, logD

5.591

Water Solubility, LogSw

-5.37

Polar Surface Area

70.732

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D638-0066 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D638-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D638-0066?
Check Price and Availability of D638-0066, 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 D638-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D638-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D638-0066
  • 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 D638-0066 available by request