C714-0290 Screening compound: ethyl 2-{2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamido}benzoate

C714-0290 Screening compound: ethyl 2-{2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamido}benzoate
C714-0290 Screening compound: ethyl 2-{2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0290
ethyl 2-{2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamido}benzoate

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

C714-0290

Molecular Formula

C27H26N2O5S (C27 H26 N2 O5 S)

Compound Name

ethyl 2-{2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[2-(4-methoxyphenyl)-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(c(cccc1)c1SC(C1)c(cc2)ccc2OC)C1=O)=O)=O

InChI

InChI=1S/C27H26N2O5S/c1-3-34-27(32)20-8-4-5-9-21(20)28-25(30)17-29-22-10-6-7-11-23(22)35-24(16-26(29)31)18-12-14-19(33-2)15-13-18/h4-15,24H,3,16-17H2,1-2H3,(H,28,30)/t24-/m0/s1

InChI Key

CYQDJARUSHPFNA-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD05714080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.068

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-4.54

Polar Surface Area

66.427

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C714-0290 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C714-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0290?
Check Price and Availability of C714-0290, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C714-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0290
  • 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 C714-0290 available by request