3970-1473 Screening compound: 3-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-4-chlorobenzoic acid

3970-1473 Screening compound: 3-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-4-chlorobenzoic acid
3970-1473 Screening compound: 3-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-4-chlorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-1473
3-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-4-chlorobenzoic 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

3970-1473

Molecular Formula

C25H17BrClNO4 (C25 H17 BrClNO4)

Compound Name

3-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-4-chlorobenzoic acid

IUPAC name

3-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-23-dihydro-1H-pyrrol-1-yl]-4-chlorobenzoic acid

SMILES

COc(ccc(/C=C(\C=C(c1ccccc1)N1c(cc(cc2)C(O)=O)c2Cl)/C1=O)c1)c1Br

InChI

InChI=1S/C25H17BrClNO4/c1-32-23-10-7-15(12-19(23)26)11-18-14-21(16-5-3-2-4-6-16)28(24(18)29)22-13-17(25(30)31)8-9-20(22)27/h2-14H,1H3,(H,30,31)

InChI Key

NFMHWXJQKXNPNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02379478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.972

Distribution Coefficient, logD

3.424

Water Solubility, LogSw

-5.75

Polar Surface Area

50.785

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

References: we are preparing a list of scientific research reports with 3970-1473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-1473?
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What is the minimum amount of 3970-1473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-1473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-1473
  • 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 3970-1473 available by request