A0061143 Screening compound: N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

A0061143 Screening compound: N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
A0061143 Screening compound: N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061143
N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

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

A0061143

Molecular Formula

C23H15ClF3N3O2S (C23 H15 ClF3 N3 O2 S)

Compound Name

N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(NC(N2c(cc(C(F)(F)F)cc3)c3Cl)=S)c1C2=O)NCc1ccccc1

InChI

InChI=1S/C23H15ClF3N3O2S/c24-17-9-7-15(23(25,26)27)11-19(17)30-21(32)16-8-6-14(10-18(16)29-22(30)33)20(31)28-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,28,31)(H,29,33)

InChI Key

WEHXMCGUICIMHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.864

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-5.07

Polar Surface Area

50.819

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with A0061143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061143?
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What is the minimum amount of A0061143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061143
  • 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 A0061143 available by request