E734-2446 Screening compound: 4-(2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}ethyl)-N,N-dipropylbenzene-1-sulfonamide

E734-2446 Screening compound: 4-(2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}ethyl)-N,N-dipropylbenzene-1-sulfonamide
E734-2446 Screening compound: 4-(2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}ethyl)-N,N-dipropylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-2446
4-(2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}ethyl)-N,N-dipropylbenzene-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

E734-2446

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC)S(c1ccc(CCN(C(c2c3nccc2)=O)C3=O)cc1)(=O)=O

InChI

InChI=1S/C21H25N3O4S/c1-3-13-23(14-4-2)29(27,28)17-9-7-16(8-10-17)11-15-24-20(25)18-6-5-12-22-19(18)21(24)26/h5-10,12H,3-4,11,13-15H2,1-2H3

InChI Key

NXXQMNJZPXHERX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-2.71

Polar Surface Area

70.982

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E734-2446 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 E734-2446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-2446?
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What is the minimum amount of E734-2446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-2446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-2446
  • 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 E734-2446 available by request