V008-3549 Screening compound: 3-(2,5-dichlorophenyl)-2-(prop-2-en-1-ylsulfanyl)-3,4-dihydroquinazolin-4-one

V008-3549 Screening compound: 3-(2,5-dichlorophenyl)-2-(prop-2-en-1-ylsulfanyl)-3,4-dihydroquinazolin-4-one
V008-3549 Screening compound: 3-(2,5-dichlorophenyl)-2-(prop-2-en-1-ylsulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3549
3-(2,5-dichlorophenyl)-2-(prop-2-en-1-ylsulfanyl)-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

V008-3549

Molecular Formula

C17H12Cl2N2OS (C17 H12 Cl2 N2 OS)

Compound Name

3-(2,5-dichlorophenyl)-2-(prop-2-en-1-ylsulfanyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-(25-dichlorophenyl)-2-(prop-2-en-1-ylsulfanyl)-34-dihydroquinazolin-4-one

SMILES

C=CCSC(N1c(cc(cc2)Cl)c2Cl)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C17H12Cl2N2OS/c1-2-9-23-17-20-14-6-4-3-5-12(14)16(22)21(17)15-10-11(18)7-8-13(15)19/h2-8,10H,1,9H2

InChI Key

SKRPLWWNQRBYQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.539

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-4.65

Polar Surface Area

25.130

Acid Dissociation Constant (pKa)

37.93

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

V008-3549 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V008-3549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3549?
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What is the minimum amount of V008-3549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3549
  • 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 V008-3549 available by request