Y031-2074 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide

Y031-2074 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
Y031-2074 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2074
3-[(4-chlorophenyl)sulfanyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide

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

Y031-2074

Molecular Formula

C13H14ClN3O2S2 (C13 H14 ClN3 O2 S2)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-N-[5-(methoxymethyl)-134-thiadiazol-2-yl]propanamide

SMILES

COCc1nnc(NC(CCSc(cc2)ccc2Cl)=O)s1

InChI

InChI=1S/C13H14ClN3O2S2/c1-19-8-12-16-17-13(21-12)15-11(18)6-7-20-10-4-2-9(14)3-5-10/h2-5H,6-8H2,1H3,(H,15,17,18)

InChI Key

RTPJIFQDMCOXRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07068014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.53

Polar Surface Area

55.580

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

Y031-2074 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 Y031-2074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2074?
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What is the minimum amount of Y031-2074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2074
  • 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 Y031-2074 available by request