C773-0365 Screening compound: N-(2,2-dimethoxyethyl)-2-(2,2-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)propanamide

C773-0365 Screening compound: N-(2,2-dimethoxyethyl)-2-(2,2-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)propanamide
C773-0365 Screening compound: N-(2,2-dimethoxyethyl)-2-(2,2-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C773-0365
N-(2,2-dimethoxyethyl)-2-(2,2-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)propanamide

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

C773-0365

Molecular Formula

C18H26N2O4S (C18 H26 N2 O4 S)

Compound Name

N-(2,2-dimethoxyethyl)-2-(2,2-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)propanamide

IUPAC name

N-(22-dimethoxyethyl)-2-(22-dimethyl-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl)propanamide

SMILES

CC(C(NCC(OC)OC)=O)N(c(cccc1)c1SC(C)(C)C1)C1=O

InChI

InChI=1S/C18H26N2O4S/c1-12(17(22)19-11-16(23-4)24-5)20-13-8-6-7-9-14(13)25-18(2,3)10-15(20)21/h6-9,12,16H,10-11H2,1-5H3,(H,19,22)/t12-/m0/s1

InChI Key

XERXVNOYRYWTRO-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14792906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.627

Distribution Coefficient, logD

1.627

Water Solubility, LogSw

-2.19

Polar Surface Area

55.742

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

C773-0365 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C773-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C773-0365?
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What is the minimum amount of C773-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C773-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C773-0365
  • 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 C773-0365 available by request