C771-0078 Screening compound: N~2~-(2,2-dimethoxyethyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide

C771-0078 Screening compound: N~2~-(2,2-dimethoxyethyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
C771-0078 Screening compound: N~2~-(2,2-dimethoxyethyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C771-0078
N~2~-(2,2-dimethoxyethyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]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

C771-0078

Molecular Formula

C11H15NO5S2 (C11 H15 NO5 S2)

Compound Name

N~2~-(2,2-dimethoxyethyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide

IUPAC name

N-(22-dimethoxyethyl)-55-dioxo-4H6H-5lambda6-thieno[23-c]thiophene-2-carboxamide

SMILES

COC(CNC(c1cc(CS(C2)(=O)=O)c2s1)=O)OC

InChI

InChI=1S/C11H15NO5S2/c1-16-10(17-2)4-12-11(13)8-3-7-5-19(14,15)6-9(7)18-8/h3,10H,4-6H2,1-2H3,(H,12,13)

InChI Key

PSZNZANFDAKSKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.044

Distribution Coefficient, logD

-0.044

Water Solubility, LogSw

-1.94

Polar Surface Area

69.794

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

C771-0078 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C771-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C771-0078?
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What is the minimum amount of C771-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C771-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C771-0078
  • 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 C771-0078 available by request