C200-2076 Screening compound: (3AR6AR)-2-[(3-CHLOROPHENYL)AMINO]-3AH4H6H6AH-5LAMBDA6-THIENO[34-D][13]THIAZOLE-55-DIONE

C200-2076 Screening compound: (3AR6AR)-2-[(3-CHLOROPHENYL)AMINO]-3AH4H6H6AH-5LAMBDA6-THIENO[34-D][13]THIAZOLE-55-DIONE
C200-2076 Screening compound: (3AR6AR)-2-[(3-CHLOROPHENYL)AMINO]-3AH4H6H6AH-5LAMBDA6-THIENO[34-D][13]THIAZOLE-55-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2076
(3AR6AR)-2-[(3-CHLOROPHENYL)AMINO]-3AH4H6H6AH-5LAMBDA6-THIENO[34-D][13]THIAZOLE-55-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

C200-2076

Molecular Formula

C11H11ClN2O2S2 (C11 H11 ClN2 O2 S2)

Compound Name

(3AR6AR)-2-[(3-CHLOROPHENYL)AMINO]-3AH4H6H6AH-5LAMBDA6-THIENO[34-D][13]THIAZOLE-55-DIONE

IUPAC name

(3aR6aR)-2-[(3-chlorophenyl)amino]-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazole-55-dione

SMILES

O=S1(C[C@@H]2SC(Nc3cccc(Cl)c3)=N[C@@H]2C1)=O

InChI

InChI=1S/C11H11ClN2O2S2/c12-7-2-1-3-8(4-7)13-11-14-9-5-18(15,16)6-10(9)17-11/h1-4,9-10H,5-6H2,(H,13,14)/t9-,10+/m0/s1

InChI Key

ZHYPAMBYCYMQMJ-VHSXEESVSA-N

MDL Number (MFCD)

MFCD14726372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.81

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

2.359

Distribution Coefficient, logD

2.359

Water Solubility, LogSw

-3.36

Polar Surface Area

47.342

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

C200-2076 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-2076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2076?
Check Price and Availability of C200-2076, 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 C200-2076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2076
  • 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 C200-2076 available by request