3772-7614 Screening compound: propan-2-yl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3772-7614 Screening compound: propan-2-yl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3772-7614 Screening compound: propan-2-yl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-7614
propan-2-yl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-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

3772-7614

Molecular Formula

C21H24ClNO4S (C21 H24 ClNO4 S)

Compound Name

propan-2-yl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

propan-2-yl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(COc(cc2)c(C)cc2Cl)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H24ClNO4S/c1-12(2)27-21(25)19-15-6-4-5-7-17(15)28-20(19)23-18(24)11-26-16-9-8-14(22)10-13(16)3/h8-10,12H,4-7,11H2,1-3H3,(H,23,24)

InChI Key

PJZCLMWXQSVORL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.160

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-6.25

Polar Surface Area

50.850

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 3772-7614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-7614?
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What is the minimum amount of 3772-7614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-7614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-7614
  • 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 3772-7614 available by request