D039-0065 Screening compound: 1-(4-ethoxyphenyl)-3-(5-{[(4-ethoxyphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea

D039-0065 Screening compound: 1-(4-ethoxyphenyl)-3-(5-{[(4-ethoxyphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea
D039-0065 Screening compound: 1-(4-ethoxyphenyl)-3-(5-{[(4-ethoxyphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D039-0065
1-(4-ethoxyphenyl)-3-(5-{[(4-ethoxyphenyl)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

D039-0065

Molecular Formula

C25H29N5O4 (C25 H29 N5 O4)

Compound Name

1-(4-ethoxyphenyl)-3-(5-{[(4-ethoxyphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea

IUPAC name

1-(4-ethoxyphenyl)-3-(5-{[(4-ethoxyphenyl)carbamoyl]amino}-26-dimethylpyridin-3-yl)urea

SMILES

CCOc(cc1)ccc1NC(Nc1cc(NC(Nc(cc2)ccc2OCC)=O)c(C)nc1C)=O

InChI

InChI=1S/C25H29N5O4/c1-5-33-20-11-7-18(8-12-20)27-24(31)29-22-15-23(17(4)26-16(22)3)30-25(32)28-19-9-13-21(14-10-19)34-6-2/h7-15H,5-6H2,1-4H3,(H2,27,29,31)(H2,28,30,32)

InChI Key

NPQNMWPPILTAIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

5.032

Water Solubility, LogSw

-4.62

Polar Surface Area

87.466

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D039-0065 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D039-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D039-0065?
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What is the minimum amount of D039-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D039-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D039-0065
  • 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 D039-0065 available by request