V004-2594 Screening compound: 2,6-difluoro-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}benzamide

V004-2594 Screening compound: 2,6-difluoro-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}benzamide
V004-2594 Screening compound: 2,6-difluoro-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2594
2,6-difluoro-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}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

V004-2594

Molecular Formula

C18H12F5N3O (C18 H12 F5 N3 O)

Compound Name

2,6-difluoro-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}benzamide

IUPAC name

26-difluoro-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}benzamide

SMILES

Cc([nH]nc1-c2ccc(C(F)(F)F)cc2)c1NC(c(c(F)ccc1)c1F)=O

InChI

InChI=1S/C18H12F5N3O/c1-9-15(24-17(27)14-12(19)3-2-4-13(14)20)16(26-25-9)10-5-7-11(8-6-10)18(21,22)23/h2-8H,1H3,(H,24,27)(H,25,26)

InChI Key

ZFLFNDDVTZERJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14266897

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

381.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.47

Polar Surface Area

45.771

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

References: we are preparing a list of scientific research reports with V004-2594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2594?
Check Price and Availability of V004-2594, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-2594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2594
  • 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 V004-2594 available by request