D638-0102 Screening compound: 1-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

D638-0102 Screening compound: 1-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
D638-0102 Screening compound: 1-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D638-0102
1-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)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

D638-0102

Molecular Formula

C26H30N6O3 (C26 H30 N6 O3)

Compound Name

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

IUPAC name

1-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-3-(23-dihydro-14-benzodioxin-6-yl)urea

SMILES

Cc1nc(NC2CCCCC2)cc(Nc(cc2)ccc2NC(Nc(cc2)cc3c2OCCO3)=O)n1

InChI

InChI=1S/C26H30N6O3/c1-17-27-24(29-18-5-3-2-4-6-18)16-25(28-17)30-19-7-9-20(10-8-19)31-26(33)32-21-11-12-22-23(15-21)35-14-13-34-22/h7-12,15-16,18H,2-6,13-14H2,1H3,(H2,31,32,33)(H2,27,28,29,30)

InChI Key

VNYHYCUNAIPRJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.63

Polar Surface Area

86.555

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

D638-0102 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D638-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D638-0102?
Check Price and Availability of D638-0102, 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 D638-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D638-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D638-0102
  • 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 D638-0102 available by request