A0061147 Screening compound: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

A0061147 Screening compound: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
A0061147 Screening compound: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061147
3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-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

A0061147

Molecular Formula

C21H17ClF3N3O2S (C21 H17 ClF3 N3 O2 S)

Compound Name

3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

O=C(c(cc1)cc(NC(N2c(cc(C(F)(F)F)cc3)c3Cl)=S)c1C2=O)N1CCCCC1

InChI

InChI=1S/C21H17ClF3N3O2S/c22-15-7-5-13(21(23,24)25)11-17(15)28-19(30)14-6-4-12(10-16(14)26-20(28)31)18(29)27-8-2-1-3-9-27/h4-7,10-11H,1-3,8-9H2,(H,26,31)

InChI Key

GZLBVSRDUXEQBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.195

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.51

Polar Surface Area

43.054

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with A0061147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061147?
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What is the minimum amount of A0061147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061147
  • 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 A0061147 available by request