Y031-6144 Screening compound: 3-benzamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide

Y031-6144 Screening compound: 3-benzamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
Y031-6144 Screening compound: 3-benzamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6144
3-benzamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide

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

Y031-6144

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

3-benzamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide

IUPAC name

3-benzamido-N-[5-(methoxymethyl)-134-thiadiazol-2-yl]-4-methylbenzamide

SMILES

Cc(ccc(C(Nc1nnc(COC)s1)=O)c1)c1NC(c1ccccc1)=O

InChI

InChI=1S/C19H18N4O3S/c1-12-8-9-14(18(25)21-19-23-22-16(27-19)11-26-2)10-15(12)20-17(24)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,24)(H,21,23,25)

InChI Key

KFNTZERWKQDIGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09460604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.895

Distribution Coefficient, logD

2.013

Water Solubility, LogSw

-3.33

Polar Surface Area

78.187

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

Y031-6144 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-6144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6144?
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What is the minimum amount of Y031-6144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6144
  • 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 Y031-6144 available by request