Y070-1140 Screening compound: 2-(4-bromophenoxy)-1-(2-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)ethan-1-one

Y070-1140 Screening compound: 2-(4-bromophenoxy)-1-(2-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)ethan-1-one
Y070-1140 Screening compound: 2-(4-bromophenoxy)-1-(2-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1140
2-(4-bromophenoxy)-1-(2-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)ethan-1-one

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

Y070-1140

Molecular Formula

C23H19BrN2O2S (C23 H19 BrN2 O2 S)

Compound Name

2-(4-bromophenoxy)-1-(2-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)ethan-1-one

IUPAC name

2-(4-bromophenoxy)-1-(2-{[(4-methylphenyl)methyl]sulfanyl}-1H-13-benzodiazol-1-yl)ethan-1-one

SMILES

Cc1ccc(CSc2nc(cccc3)c3n2C(COc(cc2)ccc2Br)=O)cc1

InChI

InChI=1S/C23H19BrN2O2S/c1-16-6-8-17(9-7-16)15-29-23-25-20-4-2-3-5-21(20)26(23)22(27)14-28-19-12-10-18(24)11-13-19/h2-13H,14-15H2,1H3

InChI Key

TXRDSRWPDHYPOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02996180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.629

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-5.42

Polar Surface Area

31.388

Acid Dissociation Constant (pKa)

19.24

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

Y070-1140 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y070-1140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1140?
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What is the minimum amount of Y070-1140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1140
  • 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 Y070-1140 available by request