V029-3133 Screening compound: 3-{5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-1-[4-(trifluoromethyl)phenyl]urea

V029-3133 Screening compound: 3-{5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-1-[4-(trifluoromethyl)phenyl]urea
V029-3133 Screening compound: 3-{5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-1-[4-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3133
3-{5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-1-[4-(trifluoromethyl)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

V029-3133

Molecular Formula

C21H16F6N4O (C21 H16 F6 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(Nc1c(C2CC2)[nH]nc1-c1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C21H16F6N4O/c22-20(23,24)13-5-3-12(4-6-13)17-18(16(30-31-17)11-1-2-11)29-19(32)28-15-9-7-14(8-10-15)21(25,26)27/h3-11H,1-2H2,(H,30,31)(H2,28,29,32)

InChI Key

KTLKIUFNDNJZBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14267798

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.039

Distribution Coefficient, logD

6.039

Water Solubility, LogSw

-6.09

Polar Surface Area

55.428

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V029-3133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3133?
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What is the minimum amount of V029-3133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3133
  • 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 V029-3133 available by request