3260-0426 Screening compound: (1Z)-2-{1-[(naphthalen-1-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(thiophen-2-yl)ethenyl thiophene-2-carboxylate

3260-0426 Screening compound: (1Z)-2-{1-[(naphthalen-1-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(thiophen-2-yl)ethenyl thiophene-2-carboxylate
3260-0426 Screening compound: (1Z)-2-{1-[(naphthalen-1-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(thiophen-2-yl)ethenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0426
(1Z)-2-{1-[(naphthalen-1-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(thiophen-2-yl)ethenyl thiophene-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

3260-0426

Molecular Formula

C29H20N2O2S2 (C29 H20 N2 O2 S2)

Compound Name

(1Z)-2-{1-[(naphthalen-1-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(thiophen-2-yl)ethenyl thiophene-2-carboxylate

IUPAC name

(1Z)-2-{1-[(naphthalen-1-yl)methyl]-1H-13-benzodiazol-2-yl}-1-(thiophen-2-yl)ethenyl thiophene-2-carboxylate

SMILES

O=C(c1cccs1)O/C(/c1cccs1)=C\c1nc(cccc2)c2n1Cc1cccc2ccccc12

InChI

InChI=1S/C29H20N2O2S2/c32-29(27-15-7-17-35-27)33-25(26-14-6-16-34-26)18-28-30-23-12-3-4-13-24(23)31(28)19-21-10-5-9-20-8-1-2-11-22(20)21/h1-18H,19H2

InChI Key

RYRUWNQXFXXMTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.812

Distribution Coefficient, logD

7.812

Water Solubility, LogSw

-7.17

Polar Surface Area

32.325

Acid Dissociation Constant (pKa)

20.61

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

3260-0426 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3260-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0426?
Check Price and Availability of 3260-0426, 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 3260-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0426
  • 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 3260-0426 available by request