4112-0402 Screening compound: 2,4-dimethyl 5-[2-(3,4-dimethoxyphenyl)acetamido]-3-methylthiophene-2,4-dicarboxylate

4112-0402 Screening compound: 2,4-dimethyl 5-[2-(3,4-dimethoxyphenyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
4112-0402 Screening compound: 2,4-dimethyl 5-[2-(3,4-dimethoxyphenyl)acetamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-0402
2,4-dimethyl 5-[2-(3,4-dimethoxyphenyl)acetamido]-3-methylthiophene-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

4112-0402

Molecular Formula

C19H21NO7S (C19 H21 NO7 S)

Compound Name

2,4-dimethyl 5-[2-(3,4-dimethoxyphenyl)acetamido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-dimethyl 5-[2-(34-dimethoxyphenyl)acetamido]-3-methylthiophene-24-dicarboxylate

SMILES

Cc1c(C(OC)=O)sc(NC(Cc(cc2)cc(OC)c2OC)=O)c1C(OC)=O

InChI

InChI=1S/C19H21NO7S/c1-10-15(18(22)26-4)17(28-16(10)19(23)27-5)20-14(21)9-11-6-7-12(24-2)13(8-11)25-3/h6-8H,9H2,1-5H3,(H,20,21)

InChI Key

YMBHSDDBMVPBOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02361207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.286

Distribution Coefficient, logD

-0.285

Water Solubility, LogSw

-2.95

Polar Surface Area

80.519

Acid Dissociation Constant (pKa)

4.83

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 4112-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-0402?
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What is the minimum amount of 4112-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-0402
  • 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 4112-0402 available by request