3970-1693 Screening compound: ethyl 4-(5-{[(3E)-1-(4-bromophenyl)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate

3970-1693 Screening compound: ethyl 4-(5-{[(3E)-1-(4-bromophenyl)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate
3970-1693 Screening compound: ethyl 4-(5-{[(3E)-1-(4-bromophenyl)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-1693
ethyl 4-(5-{[(3E)-1-(4-bromophenyl)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate

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

3970-1693

Molecular Formula

C30H22BrNO4 (C30 H22 BrNO4)

Compound Name

ethyl 4-(5-{[(3E)-1-(4-bromophenyl)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

ethyl 4-(5-{[(3E)-1-(4-bromophenyl)-2-oxo-5-phenyl-23-dihydro-1H-pyrrol-3-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(\C=C(c2ccccc2)N2c(cc3)ccc3Br)/C2=O)o1)=O

InChI

InChI=1S/C30H22BrNO4/c1-2-35-30(34)22-10-8-21(9-11-22)28-17-16-26(36-28)18-23-19-27(20-6-4-3-5-7-20)32(29(23)33)25-14-12-24(31)13-15-25/h3-19H,2H2,1H3

InChI Key

AEMYKNPVRRVFBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01444281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.868

Distribution Coefficient, logD

7.868

Water Solubility, LogSw

-5.94

Polar Surface Area

43.371

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

3970-1693 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3970-1693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-1693?
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What is the minimum amount of 3970-1693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-1693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-1693
  • 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 3970-1693 available by request