8016-6004 Screening compound: 4-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl 1-methyl-1H-pyrazole-3-carboxylate

8016-6004 Screening compound: 4-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl 1-methyl-1H-pyrazole-3-carboxylate
8016-6004 Screening compound: 4-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl 1-methyl-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6004
4-{[4-(trifluoromethoxy)phenyl]carbamoyl}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

8016-6004

Molecular Formula

C19H14F3N3O4 (C19 H14 F3 N3 O4)

Compound Name

4-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl 1-methyl-1H-pyrazole-3-carboxylate

IUPAC name

4-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl 1-methyl-1H-pyrazole-3-carboxylate

SMILES

Cn(cc1)nc1C(Oc(cc1)ccc1C(Nc(cc1)ccc1OC(F)(F)F)=O)=O

InChI

InChI=1S/C19H14F3N3O4/c1-25-11-10-16(24-25)18(27)28-14-6-2-12(3-7-14)17(26)23-13-4-8-15(9-5-13)29-19(20,21)22/h2-11H,1H3,(H,23,26)

InChI Key

XRKGMYIBZCOAFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-3.80

Polar Surface Area

64.336

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8016-6004 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 8016-6004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6004?
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What is the minimum amount of 8016-6004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6004
  • 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 8016-6004 available by request