8012-1613 Screening compound: methyl 2-[2-(2-bromophenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8012-1613 Screening compound: methyl 2-[2-(2-bromophenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8012-1613 Screening compound: methyl 2-[2-(2-bromophenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1613
methyl 2-[2-(2-bromophenoxy)propanamido]-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

8012-1613

Molecular Formula

C19H20BrNO4S (C19 H20 BrNO4 S)

Compound Name

methyl 2-[2-(2-bromophenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[2-(2-bromophenoxy)propanamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C(Nc1c(C(OC)=O)c(CCCC2)c2s1)=O)Oc(cccc1)c1Br

InChI

InChI=1S/C19H20BrNO4S/c1-11(25-14-9-5-4-8-13(14)20)17(22)21-18-16(19(23)24-2)12-7-3-6-10-15(12)26-18/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,21,22)/t11-/m0/s1

InChI Key

RVXNLBJHXVOUFO-NSHDSACASA-N

MDL Number (MFCD)

MFCD02928200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.783

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-4.65

Polar Surface Area

51.094

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 8012-1613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1613?
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What is the minimum amount of 8012-1613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1613
  • 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 8012-1613 available by request