E977-0252 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-methyl2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)acetamide

E977-0252 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-methyl2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)acetamide
E977-0252 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-methyl2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0252
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-methyl2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)acetamide

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

E977-0252

Molecular Formula

C23H29N3O6S (C23 H29 N3 O6 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-methyl2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-(N-methyl2-oxo-2345-tetrahydro-1H-1-benzazepine-7-sulfonamido)acetamide

SMILES

CN(CC(NCCc(cc1)cc(OC)c1OC)=O)S(c(cc1)cc(CCC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C23H29N3O6S/c1-26(15-23(28)24-12-11-16-7-10-20(31-2)21(13-16)32-3)33(29,30)18-8-9-19-17(14-18)5-4-6-22(27)25-19/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,24,28)(H,25,27)

InChI Key

GOFWMVUIOFRJFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.891

Distribution Coefficient, logD

0.891

Water Solubility, LogSw

-2.51

Polar Surface Area

97.528

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

E977-0252 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E977-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0252?
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What is the minimum amount of E977-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0252
  • 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 E977-0252 available by request