C200-2079 Screening compound: (3aR,6aR)-2-(3-nitroanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione

C200-2079 Screening compound: (3aR,6aR)-2-(3-nitroanilino)-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
C200-2079 Screening compound: (3aR,6aR)-2-(3-nitroanilino)-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 C200-2079
(3aR,6aR)-2-(3-nitroanilino)-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

C200-2079

Molecular Formula

C11H11N3O4S2 (C11 H11 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(NC2=N[C@H](CS(C3)(=O)=O)[C@H]3S2)c1)=O

InChI

InChI=1S/C11H11N3O4S2/c15-14(16)8-3-1-2-7(4-8)12-11-13-9-5-20(17,18)6-10(9)19-11/h1-4,9-10H,5-6H2,(H,12,13)/t9-,10+/m0/s1

InChI Key

ACGXVHJPOSRLEF-VHSXEESVSA-N

MDL Number (MFCD)

MFCD04445227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.673

Distribution Coefficient, logD

1.673

Water Solubility, LogSw

-2.43

Polar Surface Area

80.723

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C200-2079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2079?
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What is the minimum amount of C200-2079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2079
  • 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 C200-2079 available by request