C756-0185 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

C756-0185 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide
C756-0185 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C756-0185
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(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

C756-0185

Molecular Formula

C25H32N4O2S (C25 H32 N4 O2 S)

Compound Name

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

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl)acetamide

SMILES

O=C(CN(c(cccc1)c1SCC1)C1=O)NCCCN1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H32N4O2S/c30-24(20-29-22-9-4-5-10-23(22)32-18-11-25(29)31)26-12-6-13-27-14-16-28(17-15-27)19-21-7-2-1-3-8-21/h1-5,7-10H,6,11-20H2,(H,26,30)

InChI Key

WFMXRNZNYKWRAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.266

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-2.70

Polar Surface Area

47.786

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C756-0185 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C756-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C756-0185?
Check Price and Availability of C756-0185, 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 C756-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C756-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C756-0185
  • 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 C756-0185 available by request