3772-3939 Screening compound: 2,4-diethyl 5-[2-(2-bromo-4-chlorophenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate

3772-3939 Screening compound: 2,4-diethyl 5-[2-(2-bromo-4-chlorophenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate
3772-3939 Screening compound: 2,4-diethyl 5-[2-(2-bromo-4-chlorophenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-3939
2,4-diethyl 5-[2-(2-bromo-4-chlorophenoxy)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

3772-3939

Molecular Formula

C19H19BrClNO6S (C19 H19 BrClNO6 S)

Compound Name

2,4-diethyl 5-[2-(2-bromo-4-chlorophenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[2-(2-bromo-4-chlorophenoxy)acetamido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(COc(ccc(Cl)c2)c2Br)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C19H19BrClNO6S/c1-4-26-18(24)15-10(3)16(19(25)27-5-2)29-17(15)22-14(23)9-28-13-7-6-11(21)8-12(13)20/h6-8H,4-5,9H2,1-3H3,(H,22,23)

InChI Key

HPERMQZHAJUHPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.848

Distribution Coefficient, logD

2.843

Water Solubility, LogSw

-5.01

Polar Surface Area

72.004

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 3772-3939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-3939?
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What is the minimum amount of 3772-3939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-3939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-3939
  • 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 3772-3939 available by request