L705-0454 Screening compound: 7-[4-(azepan-1-yl)-4-oxobutane-2-sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

L705-0454 Screening compound: 7-[4-(azepan-1-yl)-4-oxobutane-2-sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
L705-0454 Screening compound: 7-[4-(azepan-1-yl)-4-oxobutane-2-sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L705-0454
7-[4-(azepan-1-yl)-4-oxobutane-2-sulfonyl]-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

L705-0454

Molecular Formula

C19H26N2O4S2 (C19 H26 N2 O4 S2)

Compound Name

7-[4-(azepan-1-yl)-4-oxobutane-2-sulfonyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

n/a

SMILES

CC(CC(N1CCCCCC1)=O)S(c(cc1)cc(N2)c1SCCC2=O)(=O)=O

InChI

InChI=1S/C19H26N2O4S2/c1-14(12-19(23)21-9-4-2-3-5-10-21)27(24,25)15-6-7-17-16(13-15)20-18(22)8-11-26-17/h6-7,13-14H,2-5,8-12H2,1H3,(H,20,22)/t14-/m0/s1

InChI Key

YBNRCLYVIBJNKA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27471603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.004

Distribution Coefficient, logD

2.004

Water Solubility, LogSw

-2.91

Polar Surface Area

71.615

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

L705-0454 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)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L705-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L705-0454?
Check Price and Availability of L705-0454, 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 L705-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L705-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L705-0454
  • 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 L705-0454 available by request