E734-2450 Screening compound: 4-(2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}ethyl)-N-(4-ethylphenyl)benzene-1-sulfonamide

E734-2450 Screening compound: 4-(2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}ethyl)-N-(4-ethylphenyl)benzene-1-sulfonamide
E734-2450 Screening compound: 4-(2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}ethyl)-N-(4-ethylphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-2450
4-(2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}ethyl)-N-(4-ethylphenyl)benzene-1-sulfonamide

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

E734-2450

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

4-(2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}ethyl)-N-(4-ethylphenyl)benzene-1-sulfonamide

IUPAC name

4-(2-{57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}ethyl)-N-(4-ethylphenyl)benzene-1-sulfonamide

SMILES

CCc(cc1)ccc1NS(c1ccc(CCN(C(c2c3nccc2)=O)C3=O)cc1)(=O)=O

InChI

InChI=1S/C23H21N3O4S/c1-2-16-5-9-18(10-6-16)25-31(29,30)19-11-7-17(8-12-19)13-15-26-22(27)20-4-3-14-24-21(20)23(26)28/h3-12,14,25H,2,13,15H2,1H3

InChI Key

HQRKQGZFBDPURL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.991

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.69

Polar Surface Area

80.028

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E734-2450 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E734-2450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-2450?
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What is the minimum amount of E734-2450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-2450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-2450
  • 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 E734-2450 available by request