8015-6837 Screening compound: N-(3,4-dichlorobenzoyl)-N'-{4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea

8015-6837 Screening compound: N-(3,4-dichlorobenzoyl)-N'-{4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
8015-6837 Screening compound: N-(3,4-dichlorobenzoyl)-N'-{4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6837
N-(3,4-dichlorobenzoyl)-N'-{4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}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

8015-6837

Molecular Formula

C19H13Cl2F3N4O2 (C19 H13 Cl2 F3 N4 O2)

Compound Name

N-(3,4-dichlorobenzoyl)-N'-{4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea

IUPAC name

3-(34-dichlorobenzoyl)-1-{4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea

SMILES

Cc(cc1C(F)(F)F)nn1-c(cc1)ccc1NC(NC(c(cc1)cc(Cl)c1Cl)=O)=O

InChI

InChI=1S/C19H13Cl2F3N4O2/c1-10-8-16(19(22,23)24)28(27-10)13-5-3-12(4-6-13)25-18(30)26-17(29)11-2-7-14(20)15(21)9-11/h2-9H,1H3,(H2,25,26,29,30)

InChI Key

SRJIKVGNEJSKKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.658

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.97

Polar Surface Area

59.621

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

8015-6837 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-6837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6837?
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What is the minimum amount of 8015-6837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6837
  • 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 8015-6837 available by request