L705-0791 Screening compound: N-(4-acetylphenyl)-2-methyl-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]propanamide

L705-0791 Screening compound: N-(4-acetylphenyl)-2-methyl-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]propanamide
L705-0791 Screening compound: N-(4-acetylphenyl)-2-methyl-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L705-0791
N-(4-acetylphenyl)-2-methyl-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]propanamide

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

L705-0791

Molecular Formula

C21H22N2O5S2 (C21 H22 N2 O5 S2)

Compound Name

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

IUPAC name

N-(4-acetylphenyl)-2-methyl-3-[(4-oxo-2345-tetrahydro-15-benzothiazepin-7-yl)sulfonyl]propanamide

SMILES

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

InChI

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

InChI Key

GUNYLZHHMYMAPR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27471662

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

1.509

Distribution Coefficient, logD

1.505

Water Solubility, LogSw

-2.33

Polar Surface Area

91.344

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with L705-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L705-0791?
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What is the minimum amount of L705-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L705-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L705-0791
  • 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 L705-0791 available by request