C902-0301 Screening compound: [3-amino-4-(methylsulfonyl)-5-(2-toluidino)-2-thienyl](phenyl)methanone

C902-0301 Screening compound: [3-amino-4-(methylsulfonyl)-5-(2-toluidino)-2-thienyl](phenyl)methanone
C902-0301 Screening compound: [3-amino-4-(methylsulfonyl)-5-(2-toluidino)-2-thienyl](phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C902-0301
[3-amino-4-(methylsulfonyl)-5-(2-toluidino)-2-thienyl](phenyl)methanone

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

C902-0301

Molecular Formula

C19H18N2O3S2 (C19 H18 N2 O3 S2)

Compound Name

[3-amino-4-(methylsulfonyl)-5-(2-toluidino)-2-thienyl](phenyl)methanone

IUPAC name

n/a

SMILES

Cc(cccc1)c1Nc(sc(C(c1ccccc1)=O)c1N)c1S(C)(=O)=O

InChI

InChI=1S/C19H18N2O3S2/c1-12-8-6-7-11-14(12)21-19-18(26(2,23)24)15(20)17(25-19)16(22)13-9-4-3-5-10-13/h3-11,21H,20H2,1-2H3

InChI Key

CPYOABSJEGRREV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.986

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-3.40

Polar Surface Area

70.850

Acid Dissociation Constant (pKa)

18.08

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

C902-0301 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C902-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C902-0301?
Check Price and Availability of C902-0301, 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 C902-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C902-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C902-0301
  • 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 C902-0301 available by request