Y010-0711 Screening compound: 1-(2,4-dichlorophenyl)-2-{[1-(2,5-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one

Y010-0711 Screening compound: 1-(2,4-dichlorophenyl)-2-{[1-(2,5-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one
Y010-0711 Screening compound: 1-(2,4-dichlorophenyl)-2-{[1-(2,5-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0711
1-(2,4-dichlorophenyl)-2-{[1-(2,5-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}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

Y010-0711

Molecular Formula

C17H14Cl2N4OS (C17 H14 Cl2 N4 OS)

Compound Name

1-(2,4-dichlorophenyl)-2-{[1-(2,5-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}ethan-1-one

IUPAC name

1-(24-dichlorophenyl)-2-{[1-(25-dimethylphenyl)-1H-1234-tetrazol-5-yl]sulfanyl}ethan-1-one

SMILES

Cc1cc(-n2nnnc2SCC(c(ccc(Cl)c2)c2Cl)=O)c(C)cc1

InChI

InChI=1S/C17H14Cl2N4OS/c1-10-3-4-11(2)15(7-10)23-17(20-21-22-23)25-9-16(24)13-6-5-12(18)8-14(13)19/h3-8H,9H2,1-2H3

InChI Key

SLOBLWGKOYMBDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02994008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.332

Distribution Coefficient, logD

5.332

Water Solubility, LogSw

-5.92

Polar Surface Area

52.835

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y010-0711 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 Y010-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0711?
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What is the minimum amount of Y010-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0711
  • 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 Y010-0711 available by request