Y042-5424 Screening compound: N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[4-oxo-3(4H)-quinazolinyl]acetamide

Y042-5424 Screening compound: N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[4-oxo-3(4H)-quinazolinyl]acetamide
Y042-5424 Screening compound: N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[4-oxo-3(4H)-quinazolinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5424
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[4-oxo-3(4H)-quinazolinyl]acetamide

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

Y042-5424

Molecular Formula

C17H17N5O2S (C17 H17 N5 O2 S)

Compound Name

N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[4-oxo-3(4H)-quinazolinyl]acetamide

IUPAC name

N-(5-cyclopentyl-134-thiadiazol-2-yl)-2-(4-oxo-34-dihydroquinazolin-3-yl)acetamide

SMILES

O=C(CN(C=Nc1c2cccc1)C2=O)Nc1nnc(C2CCCC2)s1

InChI

InChI=1S/C17H17N5O2S/c23-14(19-17-21-20-15(25-17)11-5-1-2-6-11)9-22-10-18-13-8-4-3-7-12(13)16(22)24/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,19,21,23)

InChI Key

ITUCKGXBQCDILO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.300

Distribution Coefficient, logD

2.266

Water Solubility, LogSw

-3.08

Polar Surface Area

73.320

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

Y042-5424 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-5424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5424?
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What is the minimum amount of Y042-5424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5424
  • 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 Y042-5424 available by request