C202-3518 Screening compound: 2-[(3,4-dimethoxybenzyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C202-3518 Screening compound: 2-[(3,4-dimethoxybenzyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C202-3518 Screening compound: 2-[(3,4-dimethoxybenzyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3518
2-[(3,4-dimethoxybenzyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

C202-3518

Molecular Formula

C18H22N2O3S (C18 H22 N2 O3 S)

Compound Name

2-[(3,4-dimethoxybenzyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

n/a

SMILES

COc(ccc(CNc1c(C(N)=O)c(CCCC2)c2s1)c1)c1OC

InChI

InChI=1S/C18H22N2O3S/c1-22-13-8-7-11(9-14(13)23-2)10-20-18-16(17(19)21)12-5-3-4-6-15(12)24-18/h7-9,20H,3-6,10H2,1-2H3,(H2,19,21)

InChI Key

WHYRBQCFXAVHGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.830

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-2.38

Polar Surface Area

59.508

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with C202-3518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3518?
Check Price and Availability of C202-3518, 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 C202-3518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3518
  • 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 C202-3518 available by request