L705-0079 Screening compound: 7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

L705-0079 Screening compound: 7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
L705-0079 Screening compound: 7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L705-0079
7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

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

L705-0079

Molecular Formula

C22H24ClN3O4S2 (C22 H24 ClN3 O4 S2)

Compound Name

7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

O=C(CCS(c(cc1)cc(N2)c1SCCC2=O)(=O)=O)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C22H24ClN3O4S2/c23-16-2-1-3-17(14-16)25-8-10-26(11-9-25)22(28)7-13-32(29,30)18-4-5-20-19(15-18)24-21(27)6-12-31-20/h1-5,14-15H,6-13H2,(H,24,27)

InChI Key

LFPAZUDITJOEBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

2.195

Water Solubility, LogSw

-3.33

Polar Surface Area

73.808

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L705-0079 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 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
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L705-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L705-0079?
Check Price and Availability of L705-0079, 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 L705-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L705-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L705-0079
  • 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 L705-0079 available by request