D039-0067 Screening compound: 1-(2,6-diethylphenyl)-3-(5-{[(2,6-diethylphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea

D039-0067 Screening compound: 1-(2,6-diethylphenyl)-3-(5-{[(2,6-diethylphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea
D039-0067 Screening compound: 1-(2,6-diethylphenyl)-3-(5-{[(2,6-diethylphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D039-0067
1-(2,6-diethylphenyl)-3-(5-{[(2,6-diethylphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-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

D039-0067

Molecular Formula

C29H37N5O2 (C29 H37 N5 O2)

Compound Name

1-(2,6-diethylphenyl)-3-(5-{[(2,6-diethylphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea

IUPAC name

1-(26-diethylphenyl)-3-(5-{[(26-diethylphenyl)carbamoyl]amino}-26-dimethylpyridin-3-yl)urea

SMILES

CCc1cccc(CC)c1NC(Nc1cc(NC(Nc2c(CC)cccc2CC)=O)c(C)nc1C)=O

InChI

InChI=1S/C29H37N5O2/c1-7-20-13-11-14-21(8-2)26(20)33-28(35)31-24-17-25(19(6)30-18(24)5)32-29(36)34-27-22(9-3)15-12-16-23(27)10-4/h11-17H,7-10H2,1-6H3,(H2,31,33,35)(H2,32,34,36)

InChI Key

ZMVXBPIPSQZNCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04361064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.354

Distribution Coefficient, logD

6.354

Water Solubility, LogSw

-5.47

Polar Surface Area

70.427

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

D039-0067 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D039-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D039-0067?
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What is the minimum amount of D039-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D039-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D039-0067
  • 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 D039-0067 available by request