V004-9547 Screening compound: ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate

V004-9547 Screening compound: ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate
V004-9547 Screening compound: ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9547
ethyl 1-{4-[butyl(methyl)carbamoyl]phenyl}-5-(4-methoxyphenyl)-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

V004-9547

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)C(c(cc1)ccc1-n(c(-c(cc1)ccc1OC)c1)nc1C(OCC)=O)=O

InChI

InChI=1S/C25H29N3O4/c1-5-7-16-27(3)24(29)19-8-12-20(13-9-19)28-23(17-22(26-28)25(30)32-6-2)18-10-14-21(31-4)15-11-18/h8-15,17H,5-7,16H2,1-4H3

InChI Key

AOHRAJPRQCYTDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.11

Polar Surface Area

57.759

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V004-9547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9547?
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What is the minimum amount of V004-9547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9547
  • 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 V004-9547 available by request