V016-9413 Screening compound: 1-(3-CHLOROPHENYL)-3-[3-(3,4-DIMETHOXYPHENYL)-5-METHYL-1H-PYRAZOL-4-YL]UREA

V016-9413 Screening compound: 1-(3-CHLOROPHENYL)-3-[3-(3,4-DIMETHOXYPHENYL)-5-METHYL-1H-PYRAZOL-4-YL]UREA
V016-9413 Screening compound: 1-(3-CHLOROPHENYL)-3-[3-(3,4-DIMETHOXYPHENYL)-5-METHYL-1H-PYRAZOL-4-YL]UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9413
1-(3-CHLOROPHENYL)-3-[3-(3,4-DIMETHOXYPHENYL)-5-METHYL-1H-PYRAZOL-4-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

V016-9413

Molecular Formula

C19H19ClN4O3 (C19 H19 ClN4 O3)

Compound Name

1-(3-CHLOROPHENYL)-3-[3-(3,4-DIMETHOXYPHENYL)-5-METHYL-1H-PYRAZOL-4-YL]UREA

IUPAC name

1-(3-chlorophenyl)-3-[3-(34-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea

SMILES

Cc([nH]nc1-c(cc2)cc(OC)c2OC)c1NC(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C19H19ClN4O3/c1-11-17(22-19(25)21-14-6-4-5-13(20)10-14)18(24-23-11)12-7-8-15(26-2)16(9-12)27-3/h4-10H,1-3H3,(H,23,24)(H2,21,22,25)

InChI Key

JQLUMTQRYQJABA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14267696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

4.045

Water Solubility, LogSw

-4.46

Polar Surface Area

70.244

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

V016-9413 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V016-9413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9413?
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What is the minimum amount of V016-9413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9413
  • 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 V016-9413 available by request