4393-0091 Screening compound: 6-[3-hydroxy-5-(3-methoxyphenyl)-2-oxo-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid

4393-0091 Screening compound: 6-[3-hydroxy-5-(3-methoxyphenyl)-2-oxo-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
4393-0091 Screening compound: 6-[3-hydroxy-5-(3-methoxyphenyl)-2-oxo-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0091
6-[3-hydroxy-5-(3-methoxyphenyl)-2-oxo-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl]hexanoic 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

4393-0091

Molecular Formula

C26H27NO6 (C26 H27 NO6)

Compound Name

6-[3-hydroxy-5-(3-methoxyphenyl)-2-oxo-4-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid

IUPAC name

6-[3-hydroxy-5-(3-methoxyphenyl)-2-oxo-4-[(2E)-3-phenylprop-2-enoyl]-25-dihydro-1H-pyrrol-1-yl]hexanoic acid

SMILES

COc1cccc(C(C(C(/C=C/c2ccccc2)=O)=C2O)N(CCCCCC(O)=O)C2=O)c1

InChI

InChI=1S/C26H27NO6/c1-33-20-12-8-11-19(17-20)24-23(21(28)15-14-18-9-4-2-5-10-18)25(31)26(32)27(24)16-7-3-6-13-22(29)30/h2,4-5,8-12,14-15,17,24,31H,3,6-7,13,16H2,1H3,(H,29,30)/t24-/m0/s1

InChI Key

LHMBYMXCGFUSMW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02107900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.377

Distribution Coefficient, logD

0.549

Water Solubility, LogSw

-3.58

Polar Surface Area

80.513

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

4393-0091 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 4393-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0091?
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What is the minimum amount of 4393-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0091
  • 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 4393-0091 available by request