4478-3781 Screening compound: methyl 2-(2-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

4478-3781 Screening compound: methyl 2-(2-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
4478-3781 Screening compound: methyl 2-(2-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-3781
methyl 2-(2-bromobenzamido)-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

4478-3781

Molecular Formula

C17H16BrNO3S (C17 H16 BrNO3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1c(NC(c(cccc2)c2Br)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C17H16BrNO3S/c1-22-17(21)14-11-7-3-5-9-13(11)23-16(14)19-15(20)10-6-2-4-8-12(10)18/h2,4,6,8H,3,5,7,9H2,1H3,(H,19,20)

InChI Key

FSFANEFWPOTGPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01120056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.067

Distribution Coefficient, logD

-0.508

Water Solubility, LogSw

-4.48

Polar Surface Area

44.218

Acid Dissociation Constant (pKa)

2.83

Base Dissociation Constant (pKb)

-6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 4478-3781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-3781?
Check Price and Availability of 4478-3781, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4478-3781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-3781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-3781
  • 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 4478-3781 available by request