D039-0061 Screening compound: 1-(3-methoxyphenyl)-3-(5-{[(3-methoxyphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea

D039-0061 Screening compound: 1-(3-methoxyphenyl)-3-(5-{[(3-methoxyphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea
D039-0061 Screening compound: 1-(3-methoxyphenyl)-3-(5-{[(3-methoxyphenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D039-0061
1-(3-methoxyphenyl)-3-(5-{[(3-methoxyphenyl)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

D039-0061

Molecular Formula

C23H25N5O4 (C23 H25 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(Nc1cc(OC)ccc1)=O)c1)nc(C)c1NC(Nc1cc(OC)ccc1)=O

InChI

InChI=1S/C23H25N5O4/c1-14-20(27-22(29)25-16-7-5-9-18(11-16)31-3)13-21(15(2)24-14)28-23(30)26-17-8-6-10-19(12-17)32-4/h5-13H,1-4H3,(H2,25,27,29)(H2,26,28,30)

InChI Key

LZSVULOZHHFNDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04372338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.45

Polar Surface Area

88.306

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D039-0061 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D039-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D039-0061?
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What is the minimum amount of D039-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D039-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D039-0061
  • 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 D039-0061 available by request