8016-6006 Screening compound: 4-[(3-chloro-4-fluoroanilino)carbonyl]phenyl 1-methyl-1H-pyrazole-3-carboxylate

8016-6006 Screening compound: 4-[(3-chloro-4-fluoroanilino)carbonyl]phenyl 1-methyl-1H-pyrazole-3-carboxylate
8016-6006 Screening compound: 4-[(3-chloro-4-fluoroanilino)carbonyl]phenyl 1-methyl-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6006
4-[(3-chloro-4-fluoroanilino)carbonyl]phenyl 1-methyl-1H-pyrazole-3-carboxylate

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

8016-6006

Molecular Formula

C18H13ClFN3O3 (C18 H13 ClFN3 O3)

Compound Name

4-[(3-chloro-4-fluoroanilino)carbonyl]phenyl 1-methyl-1H-pyrazole-3-carboxylate

IUPAC name

4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl 1-methyl-1H-pyrazole-3-carboxylate

SMILES

Cn(cc1)nc1C(Oc(cc1)ccc1C(Nc(cc1)cc(Cl)c1F)=O)=O

InChI

InChI=1S/C18H13ClFN3O3/c1-23-9-8-16(22-23)18(25)26-13-5-2-11(3-6-13)17(24)21-12-4-7-15(20)14(19)10-12/h2-10H,1H3,(H,21,24)

InChI Key

PKZAUOBYRHXJJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

2.971

Water Solubility, LogSw

-3.88

Polar Surface Area

58.400

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

8016-6006 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-6006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6006?
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What is the minimum amount of 8016-6006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6006
  • 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 8016-6006 available by request