5137-3420 Screening compound: N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-2-{[(E)-[(THIOPHEN-2-YL)METHYLIDENE]AMINO]OXY}ACETAMIDE

5137-3420 Screening compound: N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-2-{[(E)-[(THIOPHEN-2-YL)METHYLIDENE]AMINO]OXY}ACETAMIDE
5137-3420 Screening compound: N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-2-{[(E)-[(THIOPHEN-2-YL)METHYLIDENE]AMINO]OXY}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5137-3420
N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-2-{[(E)-[(THIOPHEN-2-YL)METHYLIDENE]AMINO]OXY}ACETAMIDE

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

5137-3420

Molecular Formula

C16H15N3O2S2 (C16 H15 N3 O2 S2)

Compound Name

N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-2-{[(E)-[(THIOPHEN-2-YL)METHYLIDENE]AMINO]OXY}ACETAMIDE

IUPAC name

n/a

SMILES

N#Cc1c(NC(CO/N=C/c2cccs2)=O)sc2c1CCCC2

InChI

InChI=1S/C16H15N3O2S2/c17-8-13-12-5-1-2-6-14(12)23-16(13)19-15(20)10-21-18-9-11-4-3-7-22-11/h3-4,7,9H,1-2,5-6,10H2,(H,19,20)

InChI Key

HDQMRYLFICXSCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.456

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.96

Polar Surface Area

58.278

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

5137-3420 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5137-3420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5137-3420?
Check Price and Availability of 5137-3420, 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 5137-3420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5137-3420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5137-3420
  • 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 5137-3420 available by request