L793-4727 Screening compound: 2-{1-[(3,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide

L793-4727 Screening compound: 2-{1-[(3,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide
L793-4727 Screening compound: 2-{1-[(3,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L793-4727
2-{1-[(3,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide

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

L793-4727

Molecular Formula

C23H21N3O3S (C23 H21 N3 O3 S)

Compound Name

2-{1-[(3,4-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide

IUPAC name

2-{1-[(34-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-N-(6-methoxy-13-benzothiazol-2-yl)-2-oxoacetamide

SMILES

Cc1c(C)cc(Cn2c(C(C(Nc3nc(ccc(OC)c4)c4s3)=O)=O)ccc2)cc1

InChI

InChI=1S/C23H21N3O3S/c1-14-6-7-16(11-15(14)2)13-26-10-4-5-19(26)21(27)22(28)25-23-24-18-9-8-17(29-3)12-20(18)30-23/h4-12H,13H2,1-3H3,(H,24,25,28)

InChI Key

VKHBBTZIJQTIJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.829

Distribution Coefficient, logD

5.828

Water Solubility, LogSw

-5.46

Polar Surface Area

55.963

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

L793-4727 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Covalent Inhibitors Library (7986 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with L793-4727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L793-4727?
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What is the minimum amount of L793-4727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L793-4727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L793-4727
  • 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 L793-4727 available by request