4393-0040 Screening compound: 6-[3-hydroxy-5-(2-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid

4393-0040 Screening compound: 6-[3-hydroxy-5-(2-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
4393-0040 Screening compound: 6-[3-hydroxy-5-(2-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0040
6-[3-hydroxy-5-(2-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

4393-0040

Molecular Formula

C24H24N2O8 (C24 H24 N2 O8)

Compound Name

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

IUPAC name

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

SMILES

COc1c(C(C(C(c(cc2)ccc2[N+]([O-])=O)=O)=C2O)N(CCCCCC(O)=O)C2=O)cccc1

InChI

InChI=1S/C24H24N2O8/c1-34-18-8-5-4-7-17(18)21-20(22(29)15-10-12-16(13-11-15)26(32)33)23(30)24(31)25(21)14-6-2-3-9-19(27)28/h4-5,7-8,10-13,21,30H,2-3,6,9,14H2,1H3,(H,27,28)/t21-/m1/s1

InChI Key

NOJZBIKVIZBMON-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02214328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.46

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.941

Distribution Coefficient, logD

0.113

Water Solubility, LogSw

-3.34

Polar Surface Area

114.473

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-5.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

4393-0040 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 4393-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0040?
Check Price and Availability of 4393-0040, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4393-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0040
  • 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 4393-0040 available by request