C714-0293 Screening compound: N-(4-acetylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

C714-0293 Screening compound: N-(4-acetylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide
C714-0293 Screening compound: N-(4-acetylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0293
N-(4-acetylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]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

C714-0293

Molecular Formula

C26H24N2O4S (C26 H24 N2 O4 S)

Compound Name

N-(4-acetylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

IUPAC name

N-(4-acetylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl]acetamide

SMILES

CC(c(cc1)ccc1NC(CN(c(cccc1)c1SC(C1)c(cc2)ccc2OC)C1=O)=O)=O

InChI

InChI=1S/C26H24N2O4S/c1-17(29)18-7-11-20(12-8-18)27-25(30)16-28-22-5-3-4-6-23(22)33-24(15-26(28)31)19-9-13-21(32-2)14-10-19/h3-14,24H,15-16H2,1-2H3,(H,27,30)/t24-/m0/s1

InChI Key

XATMRXOKLXCSLC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD05714082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

4.342

Water Solubility, LogSw

-4.25

Polar Surface Area

60.198

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with C714-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0293?
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What is the minimum amount of C714-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0293
  • 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 C714-0293 available by request