3772-4669 Screening compound: 4-[3-(4-bromophenyl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

3772-4669 Screening compound: 4-[3-(4-bromophenyl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
3772-4669 Screening compound: 4-[3-(4-bromophenyl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-4669
4-[3-(4-bromophenyl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

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

3772-4669

Molecular Formula

C19H16BrClN2O3 (C19 H16 BrClN2 O3)

Compound Name

4-[3-(4-bromophenyl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

IUPAC name

4-[3-(4-bromophenyl)-5-(2-chlorophenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SMILES

OC(CCC(N(C(C1)c(cccc2)c2Cl)N=C1c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C19H16BrClN2O3/c20-13-7-5-12(6-8-13)16-11-17(14-3-1-2-4-15(14)21)23(22-16)18(24)9-10-19(25)26/h1-8,17H,9-11H2,(H,25,26)/t17-/m1/s1

InChI Key

RBRQECKVZGPYJN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02293074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.425

Distribution Coefficient, logD

1.476

Water Solubility, LogSw

-4.32

Polar Surface Area

55.243

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

3772-4669 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3772-4669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-4669?
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What is the minimum amount of 3772-4669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-4669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-4669
  • 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 3772-4669 available by request