Y030-9495 Screening compound: 5-chloro-2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

Y030-9495 Screening compound: 5-chloro-2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
Y030-9495 Screening compound: 5-chloro-2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9495
5-chloro-2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

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

Y030-9495

Molecular Formula

C18H16ClN3O2S (C18 H16 ClN3 O2 S)

Compound Name

5-chloro-2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

5-chloro-2-methoxy-N-[5-(2-phenylethyl)-134-thiadiazol-2-yl]benzamide

SMILES

COc(ccc(Cl)c1)c1C(Nc1nnc(CCc2ccccc2)s1)=O

InChI

InChI=1S/C18H16ClN3O2S/c1-24-15-9-8-13(19)11-14(15)17(23)20-18-22-21-16(25-18)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,20,22,23)

InChI Key

IKZUAUAWMUXHQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02868669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.927

Distribution Coefficient, logD

2.114

Water Solubility, LogSw

-4.93

Polar Surface Area

54.729

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y030-9495 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y030-9495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9495?
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What is the minimum amount of Y030-9495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9495
  • 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 Y030-9495 available by request