3772-3302 Screening compound: ethyl 6-ethyl-2-(4-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3772-3302 Screening compound: ethyl 6-ethyl-2-(4-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3772-3302 Screening compound: ethyl 6-ethyl-2-(4-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-3302
ethyl 6-ethyl-2-(4-fluorobenzamido)-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

3772-3302

Molecular Formula

C20H22FNO3S (C20 H22 FNO3 S)

Compound Name

ethyl 6-ethyl-2-(4-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 6-ethyl-2-(4-fluorobenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCC(CC1)Cc2c1c(C(OCC)=O)c(NC(c(cc1)ccc1F)=O)s2

InChI

InChI=1S/C20H22FNO3S/c1-3-12-5-10-15-16(11-12)26-19(17(15)20(24)25-4-2)22-18(23)13-6-8-14(21)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3,(H,22,23)/t12-/m1/s1

InChI Key

JXICJJGQQREZGP-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD02928259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.148

Distribution Coefficient, logD

0.574

Water Solubility, LogSw

-5.25

Polar Surface Area

43.798

Acid Dissociation Constant (pKa)

2.83

Base Dissociation Constant (pKb)

-6.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

3772-3302 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3772-3302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-3302?
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What is the minimum amount of 3772-3302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-3302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-3302
  • 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 3772-3302 available by request