L705-0398 Screening compound: N-(4-acetylphenyl)-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]butanamide

L705-0398 Screening compound: N-(4-acetylphenyl)-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]butanamide
L705-0398 Screening compound: N-(4-acetylphenyl)-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L705-0398
N-(4-acetylphenyl)-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]butanamide

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

L705-0398

Molecular Formula

C21H22N2O5S2 (C21 H22 N2 O5 S2)

Compound Name

N-(4-acetylphenyl)-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]butanamide

IUPAC name

N-(4-acetylphenyl)-3-[(4-oxo-2345-tetrahydro-15-benzothiazepin-7-yl)sulfonyl]butanamide

SMILES

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

InChI

InChI=1S/C21H22N2O5S2/c1-13(11-21(26)22-16-5-3-15(4-6-16)14(2)24)30(27,28)17-7-8-19-18(12-17)23-20(25)9-10-29-19/h3-8,12-13H,9-11H2,1-2H3,(H,22,26)(H,23,25)/t13-/m0/s1

InChI Key

VIHYGPIMGXEBBX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27471578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.844

Distribution Coefficient, logD

1.841

Water Solubility, LogSw

-2.56

Polar Surface Area

91.867

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

L705-0398 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Adenosine Receptors Targeted Library (19896 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:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L705-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L705-0398?
Check Price and Availability of L705-0398, 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 L705-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L705-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L705-0398
  • 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 L705-0398 available by request