8016-9750 Screening compound: 4-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanenitrile

8016-9750 Screening compound: 4-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanenitrile
8016-9750 Screening compound: 4-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9750
4-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanenitrile

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

8016-9750

Molecular Formula

C19H17N3OS (C19 H17 N3 OS)

Compound Name

4-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanenitrile

IUPAC name

4-[(3-benzyl-4-oxo-34-dihydroquinazolin-2-yl)sulfanyl]butanenitrile

SMILES

N#CCCCSC(N1Cc2ccccc2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C19H17N3OS/c20-12-6-7-13-24-19-21-17-11-5-4-10-16(17)18(23)22(19)14-15-8-2-1-3-9-15/h1-5,8-11H,6-7,13-14H2

InChI Key

NJAPUMDQFWIUIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.862

Distribution Coefficient, logD

2.862

Water Solubility, LogSw

-3.65

Polar Surface Area

43.534

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 8016-9750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9750?
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What is the minimum amount of 8016-9750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9750
  • 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 8016-9750 available by request