L876-0177 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(N-methyl4-methoxybenzenesulfonamido)thiophene-2-carboxamide

L876-0177 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(N-methyl4-methoxybenzenesulfonamido)thiophene-2-carboxamide
L876-0177 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(N-methyl4-methoxybenzenesulfonamido)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L876-0177
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(N-methyl4-methoxybenzenesulfonamido)thiophene-2-carboxamide

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

L876-0177

Molecular Formula

C21H20N2O6S2 (C21 H20 N2 O6 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(N-methyl4-methoxybenzenesulfonamido)thiophene-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(N-methyl4-methoxybenzenesulfonamido)thiophene-2-carboxamide

SMILES

CN(c1c(C(NCc(cc2)cc3c2OCO3)=O)scc1)S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C21H20N2O6S2/c1-23(31(25,26)16-6-4-15(27-2)5-7-16)17-9-10-30-20(17)21(24)22-12-14-3-8-18-19(11-14)29-13-28-18/h3-11H,12-13H2,1-2H3,(H,22,24)

InChI Key

FFPIIJWDPYETTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-4.16

Polar Surface Area

82.850

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L876-0177 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L876-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L876-0177?
Check Price and Availability of L876-0177, 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 L876-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L876-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L876-0177
  • 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 L876-0177 available by request