Y031-0711 Screening compound: N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylmethanesulfonylacetamide

Y031-0711 Screening compound: N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylmethanesulfonylacetamide
Y031-0711 Screening compound: N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylmethanesulfonylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0711
N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylmethanesulfonylacetamide

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

Y031-0711

Molecular Formula

C16H21N3O3S2 (C16 H21 N3 O3 S2)

Compound Name

N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylmethanesulfonylacetamide

IUPAC name

N-[5-(pentan-2-yl)-134-thiadiazol-2-yl]-2-phenylmethanesulfonylacetamide

SMILES

CCCC(C)c1nnc(NC(CS(Cc2ccccc2)(=O)=O)=O)s1

InChI

InChI=1S/C16H21N3O3S2/c1-3-7-12(2)15-18-19-16(23-15)17-14(20)11-24(21,22)10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,19,20)/t12-/m0/s1

InChI Key

PUZPTTCMWJNMCL-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06010841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.738

Distribution Coefficient, logD

2.429

Water Solubility, LogSw

-3.26

Polar Surface Area

74.961

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

Y031-0711 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0711?
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What is the minimum amount of Y031-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0711
  • 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 Y031-0711 available by request