D685-0139 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide

D685-0139 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
D685-0139 Screening compound: N-[5-(1H-1,3-benzodiazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D685-0139
N-[5-(1H-1,3-benzodiazol-2-yl)-2-methoxyphenyl]thiophene-2-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

D685-0139

Molecular Formula

C19H15N3O2S (C19 H15 N3 O2 S)

Compound Name

N-[5-(1H-1,3-benzodiazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide

IUPAC name

N-[5-(1H-13-benzodiazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide

SMILES

COc(ccc(-c1nc(cccc2)c2[nH]1)c1)c1NC(c1cccs1)=O

InChI

InChI=1S/C19H15N3O2S/c1-24-16-9-8-12(18-20-13-5-2-3-6-14(13)21-18)11-15(16)22-19(23)17-7-4-10-25-17/h2-11H,1H3,(H,20,21)(H,22,23)

InChI Key

XVNLTKVUPNGISZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08103569

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.381

Distribution Coefficient, logD

4.381

Water Solubility, LogSw

-4.47

Polar Surface Area

50.300

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D685-0139 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D685-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D685-0139?
Check Price and Availability of D685-0139, 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 D685-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D685-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D685-0139
  • 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 D685-0139 available by request