4393-0035 Screening compound: 6-[2-(4-chlorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid

4393-0035 Screening compound: 6-[2-(4-chlorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
4393-0035 Screening compound: 6-[2-(4-chlorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0035
6-[2-(4-chlorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-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

4393-0035

Molecular Formula

C23H21ClN2O7 (C23 H21 ClN2 O7)

Compound Name

6-[2-(4-chlorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid

IUPAC name

6-[2-(4-chlorophenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-25-dihydro-1H-pyrrol-1-yl]hexanoic acid

SMILES

[O-][N+](c(cc1)ccc1C(C(C(c(cc1)ccc1Cl)N(CCCCCC(O)=O)C1=O)=C1O)=O)=O

InChI

InChI=1S/C23H21ClN2O7/c24-16-9-5-14(6-10-16)20-19(21(29)15-7-11-17(12-8-15)26(32)33)22(30)23(31)25(20)13-3-1-2-4-18(27)28/h5-12,20,30H,1-4,13H2,(H,27,28)/t20-/m1/s1

InChI Key

FUMITUUBPRRAAL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02107967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.88

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

0.576

Water Solubility, LogSw

-4.25

Polar Surface Area

106.842

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-6.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 4393-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0035?
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What is the minimum amount of 4393-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0035
  • 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 4393-0035 available by request