8012-6615 Screening compound: 2-{[(6-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]-4(3H)-quinazolinone

8012-6615 Screening compound: 2-{[(6-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]-4(3H)-quinazolinone
8012-6615 Screening compound: 2-{[(6-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6615
2-{[(6-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]-4(3H)-quinazolinone

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

8012-6615

Molecular Formula

C24H14ClF3N4O2S (C24 H14 ClF3 N4 O2 S)

Compound Name

2-{[(6-chloro-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]-4(3H)-quinazolinone

IUPAC name

2-{[(6-chloro-4-oxo-34-dihydroquinazolin-2-yl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]-34-dihydroquinazolin-4-one

SMILES

O=C1NC(SCC(N2c3cc(C(F)(F)F)ccc3)=Nc(cccc3)c3C2=O)=Nc(cc2)c1cc2Cl

InChI

InChI=1S/C24H14ClF3N4O2S/c25-14-8-9-19-17(11-14)21(33)31-23(30-19)35-12-20-29-18-7-2-1-6-16(18)22(34)32(20)15-5-3-4-13(10-15)24(26,27)28/h1-11H,12H2,(H,30,31,33)

InChI Key

DIJBCUAZRQAOCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01100331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-4.47

Polar Surface Area

59.128

Acid Dissociation Constant (pKa)

6.81

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

8012-6615 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-6615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6615?
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What is the minimum amount of 8012-6615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6615
  • 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 8012-6615 available by request