C756-0180 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

C756-0180 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide
C756-0180 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-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 C756-0180
N-{3-[4-(2-fluorophenyl)piperazin-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

C756-0180

Molecular Formula

C24H29FN4O2S (C24 H29 FN4 O2 S)

Compound Name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

IUPAC name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-(4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl)acetamide

SMILES

O=C(CN(c(cccc1)c1SCC1)C1=O)NCCCN(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C24H29FN4O2S/c25-19-6-1-2-7-20(19)28-15-13-27(14-16-28)12-5-11-26-23(30)18-29-21-8-3-4-9-22(21)32-17-10-24(29)31/h1-4,6-9H,5,10-18H2,(H,26,30)

InChI Key

IFTPGJFQULOQRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.764

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-3.18

Polar Surface Area

47.205

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C756-0180 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C756-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C756-0180?
Check Price and Availability of C756-0180, 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 C756-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C756-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C756-0180
  • 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 C756-0180 available by request