L313-0307 Screening compound: methyl 5-(2-acetamido-5-methylbenzenesulfonamido)-3-methoxy-1-benzothiophene-2-carboxylate

L313-0307 Screening compound: methyl 5-(2-acetamido-5-methylbenzenesulfonamido)-3-methoxy-1-benzothiophene-2-carboxylate
L313-0307 Screening compound: methyl 5-(2-acetamido-5-methylbenzenesulfonamido)-3-methoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L313-0307
methyl 5-(2-acetamido-5-methylbenzenesulfonamido)-3-methoxy-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

L313-0307

Molecular Formula

C20H20N2O6S2 (C20 H20 N2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(ccc(C)c1)c1S(Nc(cc1)cc2c1sc(C(OC)=O)c2OC)(=O)=O)=O

InChI

InChI=1S/C20H20N2O6S2/c1-11-5-7-15(21-12(2)23)17(9-11)30(25,26)22-13-6-8-16-14(10-13)18(27-3)19(29-16)20(24)28-4/h5-10,22H,1-4H3,(H,21,23)

InChI Key

BXXUAKWNJJPZJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.316

Water Solubility, LogSw

-3.42

Polar Surface Area

93.090

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L313-0307 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with L313-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L313-0307?
Check Price and Availability of L313-0307, 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 L313-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L313-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L313-0307
  • 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 L313-0307 available by request