1683-0623 Screening compound: 2,4-diethyl 3-methyl-5-({[(4-nitrophenyl)formamido]methanethioyl}amino)thiophene-2,4-dicarboxylate

1683-0623 Screening compound: 2,4-diethyl 3-methyl-5-({[(4-nitrophenyl)formamido]methanethioyl}amino)thiophene-2,4-dicarboxylate
1683-0623 Screening compound: 2,4-diethyl 3-methyl-5-({[(4-nitrophenyl)formamido]methanethioyl}amino)thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0623
2,4-diethyl 3-methyl-5-({[(4-nitrophenyl)formamido]methanethioyl}amino)thiophene-2,4-dicarboxylate

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

1683-0623

Molecular Formula

C19H19N3O7S2 (C19 H19 N3 O7 S2)

Compound Name

2,4-diethyl 3-methyl-5-({[(4-nitrophenyl)formamido]methanethioyl}amino)thiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 3-methyl-5-({[(4-nitrophenyl)formamido]methanethioyl}amino)thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(NC(c(cc2)ccc2[N+]([O-])=O)=O)=S)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C19H19N3O7S2/c1-4-28-17(24)13-10(3)14(18(25)29-5-2)31-16(13)21-19(30)20-15(23)11-6-8-12(9-7-11)22(26)27/h6-9H,4-5H2,1-3H3,(H2,20,21,23,30)

InChI Key

VZBBZIKHSRDCDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00706756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.980

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-4.33

Polar Surface Area

107.923

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-10.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 1683-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0623?
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What is the minimum amount of 1683-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0623
  • 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 1683-0623 available by request