D039-0057 Screening compound: 3-(2,6-dimethyl-5-{[(4-methylphenyl)carbamoyl]amino}pyridin-3-yl)-1-(4-methylphenyl)urea

D039-0057 Screening compound: 3-(2,6-dimethyl-5-{[(4-methylphenyl)carbamoyl]amino}pyridin-3-yl)-1-(4-methylphenyl)urea
D039-0057 Screening compound: 3-(2,6-dimethyl-5-{[(4-methylphenyl)carbamoyl]amino}pyridin-3-yl)-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D039-0057
3-(2,6-dimethyl-5-{[(4-methylphenyl)carbamoyl]amino}pyridin-3-yl)-1-(4-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

D039-0057

Molecular Formula

C23H25N5O2 (C23 H25 N5 O2)

Compound Name

3-(2,6-dimethyl-5-{[(4-methylphenyl)carbamoyl]amino}pyridin-3-yl)-1-(4-methylphenyl)urea

IUPAC name

3-(26-dimethyl-5-{[(4-methylphenyl)carbamoyl]amino}pyridin-3-yl)-1-(4-methylphenyl)urea

SMILES

Cc(cc1)ccc1NC(Nc1cc(NC(Nc2ccc(C)cc2)=O)c(C)nc1C)=O

InChI

InChI=1S/C23H25N5O2/c1-14-5-9-18(10-6-14)25-22(29)27-20-13-21(17(4)24-16(20)3)28-23(30)26-19-11-7-15(2)8-12-19/h5-13H,1-4H3,(H2,25,27,29)(H2,26,28,30)

InChI Key

FOLJXKPPQSVONS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.141

Distribution Coefficient, logD

5.140

Water Solubility, LogSw

-4.99

Polar Surface Area

73.218

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D039-0057 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D039-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D039-0057?
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What is the minimum amount of D039-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D039-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D039-0057
  • 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 D039-0057 available by request