3772-5756 Screening compound: methyl 2-[2-(2-bromo-4-chlorophenoxy)acetamido]-4,5-dimethylthiophene-3-carboxylate

3772-5756 Screening compound: methyl 2-[2-(2-bromo-4-chlorophenoxy)acetamido]-4,5-dimethylthiophene-3-carboxylate
3772-5756 Screening compound: methyl 2-[2-(2-bromo-4-chlorophenoxy)acetamido]-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-5756
methyl 2-[2-(2-bromo-4-chlorophenoxy)acetamido]-4,5-dimethylthiophene-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

3772-5756

Molecular Formula

C16H15BrClNO4S (C16 H15 BrClNO4 S)

Compound Name

methyl 2-[2-(2-bromo-4-chlorophenoxy)acetamido]-4,5-dimethylthiophene-3-carboxylate

IUPAC name

methyl 2-[2-(2-bromo-4-chlorophenoxy)acetamido]-45-dimethylthiophene-3-carboxylate

SMILES

Cc1c(C)sc(NC(COc(ccc(Cl)c2)c2Br)=O)c1C(OC)=O

InChI

InChI=1S/C16H15BrClNO4S/c1-8-9(2)24-15(14(8)16(21)22-3)19-13(20)7-23-12-5-4-10(18)6-11(12)17/h4-6H,7H2,1-3H3,(H,19,20)

InChI Key

OCAVTIUDXXDUPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

2.317

Water Solubility, LogSw

-4.88

Polar Surface Area

51.670

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3772-5756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-5756?
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What is the minimum amount of 3772-5756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-5756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-5756
  • 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 3772-5756 available by request