Y042-4093 Screening compound: 4-[4-oxo-3(4H)-quinazolinyl]-N-(5-tetrahydro-2-furanyl-1,3,4-thiadiazol-2-yl)butanamide

Y042-4093 Screening compound: 4-[4-oxo-3(4H)-quinazolinyl]-N-(5-tetrahydro-2-furanyl-1,3,4-thiadiazol-2-yl)butanamide
Y042-4093 Screening compound: 4-[4-oxo-3(4H)-quinazolinyl]-N-(5-tetrahydro-2-furanyl-1,3,4-thiadiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4093
4-[4-oxo-3(4H)-quinazolinyl]-N-(5-tetrahydro-2-furanyl-1,3,4-thiadiazol-2-yl)butanamide

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

Y042-4093

Molecular Formula

C18H19N5O3S (C18 H19 N5 O3 S)

Compound Name

4-[4-oxo-3(4H)-quinazolinyl]-N-(5-tetrahydro-2-furanyl-1,3,4-thiadiazol-2-yl)butanamide

IUPAC name

4-(4-oxo-34-dihydroquinazolin-3-yl)-N-[5-(oxolan-2-yl)-134-thiadiazol-2-yl]butanamide

SMILES

O=C(CCCN(C=Nc1c2cccc1)C2=O)Nc1nnc(C2OCCC2)s1

InChI

InChI=1S/C18H19N5O3S/c24-15(20-18-22-21-16(27-18)14-7-4-10-26-14)8-3-9-23-11-19-13-6-2-1-5-12(13)17(23)25/h1-2,5-6,11,14H,3-4,7-10H2,(H,20,22,24)/t14-/m0/s1

InChI Key

LLCAFBKMYVKSKW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD13759398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.469

Distribution Coefficient, logD

0.383

Water Solubility, LogSw

-2.34

Polar Surface Area

81.152

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

Y042-4093 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

NOTUM (Wnt signaling) Library (3881 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-4093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4093?
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What is the minimum amount of Y042-4093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4093
  • 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 Y042-4093 available by request