E734-2727 Screening compound: 4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(4-fluorophenyl)methyl]benzene-1-sulfonamide

E734-2727 Screening compound: 4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(4-fluorophenyl)methyl]benzene-1-sulfonamide
E734-2727 Screening compound: 4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(4-fluorophenyl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-2727
4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(4-fluorophenyl)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

E734-2727

Molecular Formula

C21H16FN3O4S (C21 H16 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c2nccc1)N(Cc(cc1)ccc1S(NCc(cc1)ccc1F)(=O)=O)C2=O

InChI

InChI=1S/C21H16FN3O4S/c22-16-7-3-14(4-8-16)12-24-30(28,29)17-9-5-15(6-10-17)13-25-20(26)18-2-1-11-23-19(18)21(25)27/h1-11,24H,12-13H2

InChI Key

CMYTVQJZXAVIPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

1.975

Water Solubility, LogSw

-2.93

Polar Surface Area

81.159

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E734-2727 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 E734-2727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-2727?
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What is the minimum amount of E734-2727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-2727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-2727
  • 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 E734-2727 available by request