C200-2100 Screening compound: 2-(5-chloro-2-methylanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

C200-2100 Screening compound: 2-(5-chloro-2-methylanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
C200-2100 Screening compound: 2-(5-chloro-2-methylanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2100
2-(5-chloro-2-methylanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

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

C200-2100

Molecular Formula

C12H13ClN2O2S2 (C12 H13 ClN2 O2 S2)

Compound Name

2-(5-chloro-2-methylanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

IUPAC name

2-[(5-chloro-2-methylphenyl)amino]-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazole-55-dione

SMILES

Cc(ccc(Cl)c1)c1NC1=NC(CS(C2)(=O)=O)C2S1

InChI

InChI=1S/C12H13ClN2O2S2/c1-7-2-3-8(13)4-9(7)14-12-15-10-5-19(16,17)6-11(10)18-12/h2-4,10-11H,5-6H2,1H3,(H,14,15)

InChI Key

FGSHRAFFCZPEKU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.351

Distribution Coefficient, logD

2.351

Water Solubility, LogSw

-3.36

Polar Surface Area

46.644

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.67

C200-2100 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C200-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2100?
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What is the minimum amount of C200-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2100
  • 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 C200-2100 available by request