2403-0086 Screening compound: 4-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-(2-methylphenyl)-4-oxobutanamide

2403-0086 Screening compound: 4-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-(2-methylphenyl)-4-oxobutanamide
2403-0086 Screening compound: 4-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-(2-methylphenyl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2403-0086
4-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-(2-methylphenyl)-4-oxobutanamide

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

2403-0086

Molecular Formula

C26H23Br2N3O2 (C26 H23 Br2 N3 O2)

Compound Name

4-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-N-(2-methylphenyl)-4-oxobutanamide

IUPAC name

4-[35-bis(4-bromophenyl)-45-dihydro-1H-pyrazol-1-yl]-N-(2-methylphenyl)-4-oxobutanamide

SMILES

Cc(cccc1)c1NC(CCC(N(C(C1)c(cc2)ccc2Br)N=C1c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C26H23Br2N3O2/c1-17-4-2-3-5-22(17)29-25(32)14-15-26(33)31-24(19-8-12-21(28)13-9-19)16-23(30-31)18-6-10-20(27)11-7-18/h2-13,24H,14-16H2,1H3,(H,29,32)/t24-/m1/s1

InChI Key

OAQBFMYDMGEGKX-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01931823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.972

Distribution Coefficient, logD

5.972

Water Solubility, LogSw

-5.63

Polar Surface Area

49.039

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 2403-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2403-0086?
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What is the minimum amount of 2403-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2403-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2403-0086
  • 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 2403-0086 available by request