K783-6770 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one

K783-6770 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one
K783-6770 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-6770
2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-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

K783-6770

Molecular Formula

C15H15ClN2OS (C15 H15 ClN2 OS)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4,5,6,7,8-hexahydroquinazolin-4-one

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-345678-hexahydroquinazolin-4-one

SMILES

O=C1NC(SCc(cccc2)c2Cl)=NC2=C1CCCC2

InChI

InChI=1S/C15H15ClN2OS/c16-12-7-3-1-5-10(12)9-20-15-17-13-8-4-2-6-11(13)14(19)18-15/h1,3,5,7H,2,4,6,8-9H2,(H,17,18,19)

InChI Key

MMGKLHLGVRBVTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.418

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-3.69

Polar Surface Area

34.472

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K783-6770 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K783-6770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-6770?
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What is the minimum amount of K783-6770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-6770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-6770
  • 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 K783-6770 available by request