3368-0232 Screening compound: 2-({[(3,4-dimethoxyphenyl)formamido]methanethioyl}amino)-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

3368-0232 Screening compound: 2-({[(3,4-dimethoxyphenyl)formamido]methanethioyl}amino)-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide
3368-0232 Screening compound: 2-({[(3,4-dimethoxyphenyl)formamido]methanethioyl}amino)-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3368-0232
2-({[(3,4-dimethoxyphenyl)formamido]methanethioyl}amino)-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-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

3368-0232

Molecular Formula

C21H25N3O4S2 (C21 H25 N3 O4 S2)

Compound Name

2-({[(3,4-dimethoxyphenyl)formamido]methanethioyl}amino)-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

IUPAC name

2-({[(34-dimethoxyphenyl)formamido]methanethioyl}amino)-4H5H6H7H8H9H-cycloocta[b]thiophene-3-carboxamide

SMILES

COc(ccc(C(NC(Nc1c(C(N)=O)c(CCCCCC2)c2s1)=S)=O)c1)c1OC

InChI

InChI=1S/C21H25N3O4S2/c1-27-14-10-9-12(11-15(14)28-2)19(26)23-21(29)24-20-17(18(22)25)13-7-5-3-4-6-8-16(13)30-20/h9-11H,3-8H2,1-2H3,(H2,22,25)(H2,23,24,26,29)

InChI Key

OLYDXUAYUBVECQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01994156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.057

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-3.53

Polar Surface Area

82.605

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 3368-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3368-0232?
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What is the minimum amount of 3368-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3368-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3368-0232
  • 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 3368-0232 available by request