E734-2645 Screening compound: N,N-dibutyl-4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)benzene-1-sulfonamide

E734-2645 Screening compound: N,N-dibutyl-4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)benzene-1-sulfonamide
E734-2645 Screening compound: N,N-dibutyl-4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-2645
N,N-dibutyl-4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)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

E734-2645

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

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

IUPAC name

NN-dibutyl-4-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)benzene-1-sulfonamide

SMILES

CCCCN(CCCC)S(c1ccc(CN(C(c2c3nccc2)=O)C3=O)cc1)(=O)=O

InChI

InChI=1S/C22H27N3O4S/c1-3-5-14-24(15-6-4-2)30(28,29)18-11-9-17(10-12-18)16-25-21(26)19-8-7-13-23-20(19)22(25)27/h7-13H,3-6,14-16H2,1-2H3

InChI Key

MXZLKLAQOQJRGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.181

Water Solubility, LogSw

-3.50

Polar Surface Area

71.004

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E734-2645 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E734-2645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-2645?
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What is the minimum amount of E734-2645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-2645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-2645
  • 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 E734-2645 available by request