4393-0036 Screening compound: 6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid

4393-0036 Screening compound: 6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
4393-0036 Screening compound: 6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0036
6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-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

4393-0036

Molecular Formula

C24H24N2O9 (C24 H24 N2 O9)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(C(C(C(c(cc1)ccc1[N+]([O-])=O)=O)=C1O)N(CCCCCC(O)=O)C1=O)cc1)c1O

InChI

InChI=1S/C24H24N2O9/c1-35-18-13-15(8-11-17(18)27)21-20(22(30)14-6-9-16(10-7-14)26(33)34)23(31)24(32)25(21)12-4-2-3-5-19(28)29/h6-11,13,21,27,31H,2-5,12H2,1H3,(H,28,29)/t21-/m1/s1

InChI Key

XCGMKUOXHUHUGL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02049894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.46

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

-0.773

Water Solubility, LogSw

-2.61

Polar Surface Area

131.021

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

4393-0036 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4393-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0036?
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What is the minimum amount of 4393-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0036
  • 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 4393-0036 available by request