3366-4280 Screening compound: methyl 2-(4-bromobenzamido)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3366-4280 Screening compound: methyl 2-(4-bromobenzamido)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3366-4280 Screening compound: methyl 2-(4-bromobenzamido)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-4280
methyl 2-(4-bromobenzamido)-6-ethyl-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

3366-4280

Molecular Formula

C19H20BrNO3S (C19 H20 BrNO3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC1)Cc2c1c(C(OC)=O)c(NC(c(cc1)ccc1Br)=O)s2

InChI

InChI=1S/C19H20BrNO3S/c1-3-11-4-9-14-15(10-11)25-18(16(14)19(23)24-2)21-17(22)12-5-7-13(20)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,21,22)/t11-/m1/s1

InChI Key

KWNWZXRRKOPJLV-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01355277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.571

Distribution Coefficient, logD

0.996

Water Solubility, LogSw

-5.66

Polar Surface Area

44.218

Acid Dissociation Constant (pKa)

2.83

Base Dissociation Constant (pKb)

-6.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 3366-4280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-4280?
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What is the minimum amount of 3366-4280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-4280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-4280
  • 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 3366-4280 available by request