Y080-1038 Screening compound: 5,6-dichloro-2-(thiophen-3-yl)-1-[(thiophen-3-yl)methyl]-1H-1,3-benzodiazole

Y080-1038 Screening compound: 5,6-dichloro-2-(thiophen-3-yl)-1-[(thiophen-3-yl)methyl]-1H-1,3-benzodiazole
Y080-1038 Screening compound: 5,6-dichloro-2-(thiophen-3-yl)-1-[(thiophen-3-yl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1038
5,6-dichloro-2-(thiophen-3-yl)-1-[(thiophen-3-yl)methyl]-1H-1,3-benzodiazole

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

Y080-1038

Molecular Formula

C16H10Cl2N2S2 (C16 H10 Cl2 N2 S2)

Compound Name

5,6-dichloro-2-(thiophen-3-yl)-1-[(thiophen-3-yl)methyl]-1H-1,3-benzodiazole

IUPAC name

56-dichloro-2-(thiophen-3-yl)-1-[(thiophen-3-yl)methyl]-1H-13-benzodiazole

SMILES

Clc(cc1n(Cc2cscc2)c(-c2cscc2)nc1c1)c1Cl

InChI

InChI=1S/C16H10Cl2N2S2/c17-12-5-14-15(6-13(12)18)20(7-10-1-3-21-8-10)16(19-14)11-2-4-22-9-11/h1-6,8-9H,7H2

InChI Key

AATUUQBCJXFVMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12548075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.31

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.033

Distribution Coefficient, logD

6.033

Water Solubility, LogSw

-6.55

Polar Surface Area

11.932

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

Y080-1038 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y080-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1038?
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What is the minimum amount of Y080-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1038
  • 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 Y080-1038 available by request