L313-0145 Screening compound: methyl 5-(2-acetamido-5-methylbenzenesulfonamido)-3-propoxy-1-benzothiophene-2-carboxylate

L313-0145 Screening compound: methyl 5-(2-acetamido-5-methylbenzenesulfonamido)-3-propoxy-1-benzothiophene-2-carboxylate
L313-0145 Screening compound: methyl 5-(2-acetamido-5-methylbenzenesulfonamido)-3-propoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L313-0145
methyl 5-(2-acetamido-5-methylbenzenesulfonamido)-3-propoxy-1-benzothiophene-2-carboxylate

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

L313-0145

Molecular Formula

C22H24N2O6S2 (C22 H24 N2 O6 S2)

Compound Name

methyl 5-(2-acetamido-5-methylbenzenesulfonamido)-3-propoxy-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-(2-acetamido-5-methylbenzenesulfonamido)-3-propoxy-1-benzothiophene-2-carboxylate

SMILES

CCCOc1c(C(OC)=O)sc(cc2)c1cc2NS(c(cc(C)cc1)c1NC(C)=O)(=O)=O

InChI

InChI=1S/C22H24N2O6S2/c1-5-10-30-20-16-12-15(7-9-18(16)31-21(20)22(26)29-4)24-32(27,28)19-11-13(2)6-8-17(19)23-14(3)25/h6-9,11-12,24H,5,10H2,1-4H3,(H,23,25)

InChI Key

FYWGGGAJNDFMTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-3.87

Polar Surface Area

92.964

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L313-0145 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with L313-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L313-0145?
Check Price and Availability of L313-0145, 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 L313-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L313-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L313-0145
  • 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 L313-0145 available by request