V013-1198 Screening compound: N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-4-(trifluoromethoxy)benzamide

V013-1198 Screening compound: N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-4-(trifluoromethoxy)benzamide
V013-1198 Screening compound: N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-4-(trifluoromethoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1198
N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-4-(trifluoromethoxy)benzamide

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

V013-1198

Molecular Formula

C21H19F4N3O2 (C21 H19 F4 N3 O2)

Compound Name

N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-4-(trifluoromethoxy)benzamide

IUPAC name

N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-4-(trifluoromethoxy)benzamide

SMILES

CC(C)(C)c(cc1NC(c(cc2)ccc2OC(F)(F)F)=O)nn1-c1cccc(F)c1

InChI

InChI=1S/C21H19F4N3O2/c1-20(2,3)17-12-18(28(27-17)15-6-4-5-14(22)11-15)26-19(29)13-7-9-16(10-8-13)30-21(23,24)25/h4-12H,1-3H3,(H,26,29)

InChI Key

FKIJTYNGZRYSIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.202

Distribution Coefficient, logD

6.186

Water Solubility, LogSw

-5.59

Polar Surface Area

43.701

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V013-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1198?
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What is the minimum amount of V013-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1198
  • 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 V013-1198 available by request