V003-4934 Screening compound: ethyl 4-bromo-5-methyl-1-{4-[(4-phenylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

V003-4934 Screening compound: ethyl 4-bromo-5-methyl-1-{4-[(4-phenylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
V003-4934 Screening compound: ethyl 4-bromo-5-methyl-1-{4-[(4-phenylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4934
ethyl 4-bromo-5-methyl-1-{4-[(4-phenylbutyl)carbamoyl]phenyl}-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

V003-4934

Molecular Formula

C24H26BrN3O3 (C24 H26 BrN3 O3)

Compound Name

ethyl 4-bromo-5-methyl-1-{4-[(4-phenylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 4-bromo-5-methyl-1-{4-[(4-phenylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(c(Br)c1C)nn1-c(cc1)ccc1C(NCCCCc1ccccc1)=O)=O

InChI

InChI=1S/C24H26BrN3O3/c1-3-31-24(30)22-21(25)17(2)28(27-22)20-14-12-19(13-15-20)23(29)26-16-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-15H,3,7-8,11,16H2,1-2H3,(H,26,29)

InChI Key

LGXPRICOCWZHNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19944064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.782

Distribution Coefficient, logD

4.782

Water Solubility, LogSw

-4.43

Polar Surface Area

59.858

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with V003-4934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4934?
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What is the minimum amount of V003-4934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4934
  • 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 V003-4934 available by request