8018-5528 Screening compound: 3-ethyl-2-({[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

8018-5528 Screening compound: 3-ethyl-2-({[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one
8018-5528 Screening compound: 3-ethyl-2-({[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5528
3-ethyl-2-({[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

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

8018-5528

Molecular Formula

C18H15N3O2S2 (C18 H15 N3 O2 S2)

Compound Name

3-ethyl-2-({[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-ethyl-2-({[2-(furan-2-yl)-13-thiazol-4-yl]methyl}sulfanyl)-34-dihydroquinazolin-4-one

SMILES

CCN1C(SCc2csc(-c3ccco3)n2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C18H15N3O2S2/c1-2-21-17(22)13-6-3-4-7-14(13)20-18(21)25-11-12-10-24-16(19-12)15-8-5-9-23-15/h3-10H,2,11H2,1H3

InChI Key

JSHNLEMINIVWKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-3.97

Polar Surface Area

44.575

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8018-5528 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8018-5528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5528?
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What is the minimum amount of 8018-5528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5528
  • 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 8018-5528 available by request