4393-0038 Screening compound: 6-[3-hydroxy-5-(4-methylphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid

4393-0038 Screening compound: 6-[3-hydroxy-5-(4-methylphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
4393-0038 Screening compound: 6-[3-hydroxy-5-(4-methylphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0038
6-[3-hydroxy-5-(4-methylphenyl)-4-(4-nitrobenzoyl)-2-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

4393-0038

Molecular Formula

C24H24N2O7 (C24 H24 N2 O7)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(C(C(c(cc2)ccc2[N+]([O-])=O)=O)=C2O)N(CCCCCC(O)=O)C2=O)cc1

InChI

InChI=1S/C24H24N2O7/c1-15-6-8-16(9-7-15)21-20(22(29)17-10-12-18(13-11-17)26(32)33)23(30)24(31)25(21)14-4-2-3-5-19(27)28/h6-13,21,30H,2-5,14H2,1H3,(H,27,28)/t21-/m1/s1

InChI Key

FWPHTQHMJRSUGB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02107819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.46

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

3.233

Distribution Coefficient, logD

0.405

Water Solubility, LogSw

-3.28

Polar Surface Area

106.842

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 4393-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0038?
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What is the minimum amount of 4393-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0038
  • 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 4393-0038 available by request