D039-0064 Screening compound: 1-(4-fluorophenyl)-3-(5-{[(4-fluorophenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea

D039-0064 Screening compound: 1-(4-fluorophenyl)-3-(5-{[(4-fluorophenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea
D039-0064 Screening compound: 1-(4-fluorophenyl)-3-(5-{[(4-fluorophenyl)carbamoyl]amino}-2,6-dimethylpyridin-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D039-0064
1-(4-fluorophenyl)-3-(5-{[(4-fluorophenyl)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

D039-0064

Molecular Formula

C21H19F2N5O2 (C21 H19 F2 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(Nc(cc1)ccc1F)=O)c1)nc(C)c1NC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C21H19F2N5O2/c1-12-18(27-20(29)25-16-7-3-14(22)4-8-16)11-19(13(2)24-12)28-21(30)26-17-9-5-15(23)6-10-17/h3-11H,1-2H3,(H2,25,27,29)(H2,26,28,30)

InChI Key

RTRNJIHEMJLLAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.41

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

4.352

Distribution Coefficient, logD

4.352

Water Solubility, LogSw

-4.34

Polar Surface Area

73.218

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D039-0064 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D039-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D039-0064?
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What is the minimum amount of D039-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D039-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D039-0064
  • 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 D039-0064 available by request