C793-0633 Screening compound: methyl 5-amino-3-propoxy-1-benzothiophene-2-carboxylate

C793-0633 Screening compound: methyl 5-amino-3-propoxy-1-benzothiophene-2-carboxylate
C793-0633 Screening compound: methyl 5-amino-3-propoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C793-0633
methyl 5-amino-3-propoxy-1-benzothiophene-2-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

C793-0633

Molecular Formula

C13H15NO3S (C13 H15 NO3 S)

Compound Name

methyl 5-amino-3-propoxy-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-amino-3-propoxy-1-benzothiophene-2-carboxylate

SMILES

CCCOc1c(C(OC)=O)sc(cc2)c1cc2N

InChI

InChI=1S/C13H15NO3S/c1-3-6-17-11-9-7-8(14)4-5-10(9)18-12(11)13(15)16-2/h4-5,7H,3,6,14H2,1-2H3

InChI Key

NDZPZSWKNRLGGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.932

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-3.08

Polar Surface Area

50.556

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with C793-0633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C793-0633?
Check Price and Availability of C793-0633, 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 C793-0633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C793-0633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C793-0633
  • 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 C793-0633 available by request