4401-0072 Screening compound: ethyl 4-(acetyloxy)-2-methyl-5-[(2-nitrophenyl)sulfanyl]thiophene-3-carboxylate

4401-0072 Screening compound: ethyl 4-(acetyloxy)-2-methyl-5-[(2-nitrophenyl)sulfanyl]thiophene-3-carboxylate
4401-0072 Screening compound: ethyl 4-(acetyloxy)-2-methyl-5-[(2-nitrophenyl)sulfanyl]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4401-0072
ethyl 4-(acetyloxy)-2-methyl-5-[(2-nitrophenyl)sulfanyl]thiophene-3-carboxylate

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

4401-0072

Molecular Formula

C16H15NO6S2 (C16 H15 NO6 S2)

Compound Name

ethyl 4-(acetyloxy)-2-methyl-5-[(2-nitrophenyl)sulfanyl]thiophene-3-carboxylate

IUPAC name

ethyl 4-(acetyloxy)-2-methyl-5-[(2-nitrophenyl)sulfanyl]thiophene-3-carboxylate

SMILES

CCOC(c1c(C)sc(Sc(cccc2)c2[N+]([O-])=O)c1OC(C)=O)=O

InChI

InChI=1S/C16H15NO6S2/c1-4-22-15(19)13-9(2)24-16(14(13)23-10(3)18)25-12-8-6-5-7-11(12)17(20)21/h5-8H,4H2,1-3H3

InChI Key

YZUMSFIJXRWVGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02053350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.49

Polar Surface Area

75.744

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4401-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4401-0072?
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What is the minimum amount of 4401-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4401-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4401-0072
  • 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 4401-0072 available by request