Y032-2433 Screening compound: N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide

Y032-2433 Screening compound: N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide
Y032-2433 Screening compound: N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-2433
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide

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

Y032-2433

Molecular Formula

C18H16N4O4S (C18 H16 N4 O4 S)

Compound Name

N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide

IUPAC name

N-{5-[(4-methoxyphenyl)methyl]-134-thiadiazol-2-yl}-2-methyl-3-nitrobenzamide

SMILES

Cc(c([N+]([O-])=O)ccc1)c1C(Nc1nnc(Cc(cc2)ccc2OC)s1)=O

InChI

InChI=1S/C18H16N4O4S/c1-11-14(4-3-5-15(11)22(24)25)17(23)19-18-21-20-16(27-18)10-12-6-8-13(26-2)9-7-12/h3-9H,10H2,1-2H3,(H,19,21,23)

InChI Key

FIYHJBMFYFESMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03351638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.960

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-4.20

Polar Surface Area

87.723

Acid Dissociation Constant (pKa)

5.71

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y032-2433 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 Y032-2433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-2433?
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What is the minimum amount of Y032-2433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-2433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-2433
  • 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 Y032-2433 available by request