E975-1790 Screening compound: N~1~-(4-fluorobenzyl)-2-{methyl[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]amino}acetamide

E975-1790 Screening compound: N~1~-(4-fluorobenzyl)-2-{methyl[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]amino}acetamide
E975-1790 Screening compound: N~1~-(4-fluorobenzyl)-2-{methyl[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-1790
N~1~-(4-fluorobenzyl)-2-{methyl[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]amino}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

E975-1790

Molecular Formula

C19H20FN3O4S2 (C19 H20 FN3 O4 S2)

Compound Name

N~1~-(4-fluorobenzyl)-2-{methyl[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]amino}acetamide

IUPAC name

n/a

SMILES

CN(CC(NCc(cc1)ccc1F)=O)S(c(cc1)cc(N2)c1SCCC2=O)(=O)=O

InChI

InChI=1S/C19H20FN3O4S2/c1-23(12-19(25)21-11-13-2-4-14(20)5-3-13)29(26,27)15-6-7-17-16(10-15)22-18(24)8-9-28-17/h2-7,10H,8-9,11-12H2,1H3,(H,21,25)(H,22,24)

InChI Key

PMDFGZPGJMIIND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.838

Distribution Coefficient, logD

1.837

Water Solubility, LogSw

-2.72

Polar Surface Area

82.426

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E975-1790 in Drug Discovery

Included in Screening Libraries

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 E975-1790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-1790?
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What is the minimum amount of E975-1790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-1790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-1790
  • 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 E975-1790 available by request