Y030-8729 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide

Y030-8729 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
Y030-8729 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8729
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-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

Y030-8729

Molecular Formula

C17H14ClN3O2S (C17 H14 ClN3 O2 S)

Compound Name

N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide

IUPAC name

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

SMILES

Cc1cccc(C(Nc2nnc(COc(cc3)ccc3Cl)s2)=O)c1

InChI

InChI=1S/C17H14ClN3O2S/c1-11-3-2-4-12(9-11)16(22)19-17-21-20-15(24-17)10-23-14-7-5-13(18)6-8-14/h2-9H,10H2,1H3,(H,19,21,22)

InChI Key

NEBFXNHKHVNTIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02033956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.513

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-4.68

Polar Surface Area

54.597

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

Y030-8729 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with Y030-8729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8729?
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What is the minimum amount of Y030-8729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8729
  • 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 Y030-8729 available by request