D039-0054 Screening compound: 3-{2,6-dimethyl-5-[(phenylcarbamoyl)amino]pyridin-3-yl}-1-phenylurea

D039-0054 Screening compound: 3-{2,6-dimethyl-5-[(phenylcarbamoyl)amino]pyridin-3-yl}-1-phenylurea
D039-0054 Screening compound: 3-{2,6-dimethyl-5-[(phenylcarbamoyl)amino]pyridin-3-yl}-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D039-0054
3-{2,6-dimethyl-5-[(phenylcarbamoyl)amino]pyridin-3-yl}-1-phenylurea

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

D039-0054

Molecular Formula

C21H21N5O2 (C21 H21 N5 O2)

Compound Name

3-{2,6-dimethyl-5-[(phenylcarbamoyl)amino]pyridin-3-yl}-1-phenylurea

IUPAC name

3-{26-dimethyl-5-[(phenylcarbamoyl)amino]pyridin-3-yl}-1-phenylurea

SMILES

Cc(c(NC(Nc1ccccc1)=O)c1)nc(C)c1NC(Nc1ccccc1)=O

InChI

InChI=1S/C21H21N5O2/c1-14-18(25-20(27)23-16-9-5-3-6-10-16)13-19(15(2)22-14)26-21(28)24-17-11-7-4-8-12-17/h3-13H,1-2H3,(H2,23,25,27)(H2,24,26,28)

InChI Key

DLPLFXKWVJONIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

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

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.01

Polar Surface Area

73.218

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D039-0054 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with D039-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D039-0054?
Check Price and Availability of D039-0054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D039-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D039-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D039-0054
  • 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 D039-0054 available by request