L705-0612 Screening compound: methyl 4-{3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]butanamido}benzoate

L705-0612 Screening compound: methyl 4-{3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]butanamido}benzoate
L705-0612 Screening compound: methyl 4-{3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]butanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L705-0612
methyl 4-{3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]butanamido}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

L705-0612

Molecular Formula

C21H22N2O6S2 (C21 H22 N2 O6 S2)

Compound Name

methyl 4-{3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]butanamido}benzoate

IUPAC name

methyl 4-{3-[(4-oxo-2345-tetrahydro-15-benzothiazepin-7-yl)sulfonyl]butanamido}benzoate

SMILES

CC(CC(Nc(cc1)ccc1C(OC)=O)=O)S(c(cc1)cc(N2)c1SCCC2=O)(=O)=O

InChI

InChI=1S/C21H22N2O6S2/c1-13(11-20(25)22-15-5-3-14(4-6-15)21(26)29-2)31(27,28)16-7-8-18-17(12-16)23-19(24)9-10-30-18/h3-8,12-13H,9-11H2,1-2H3,(H,22,25)(H,23,24)/t13-/m0/s1

InChI Key

NSSHPGSXCUIRQG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27471654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.393

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-2.98

Polar Surface Area

99.214

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

L705-0612 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)

SH2 Library (10483 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Antibacterial Compounds Library (13827 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L705-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L705-0612?
Check Price and Availability of L705-0612, 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 L705-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L705-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L705-0612
  • 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 L705-0612 available by request