A0061786 Screening compound: N~7~-(2,3-dimethylcyclohexyl)-3-(4-fluorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide

A0061786 Screening compound: N~7~-(2,3-dimethylcyclohexyl)-3-(4-fluorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide
A0061786 Screening compound: N~7~-(2,3-dimethylcyclohexyl)-3-(4-fluorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061786
N~7~-(2,3-dimethylcyclohexyl)-3-(4-fluorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide

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

A0061786

Molecular Formula

C23H24FN3O2S (C23 H24 FN3 O2 S)

Compound Name

N~7~-(2,3-dimethylcyclohexyl)-3-(4-fluorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide

IUPAC name

N-(23-dimethylcyclohexyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

CC(CCC1)C(C)C1NC(c(cc1)cc(NC(N2c(cc3)ccc3F)=S)c1C2=O)=O

InChI

InChI=1S/C23H24FN3O2S/c1-13-4-3-5-19(14(13)2)25-21(28)15-6-11-18-20(12-15)26-23(30)27(22(18)29)17-9-7-16(24)8-10-17/h6-14,19H,3-5H2,1-2H3,(H,25,28)(H,26,30)

InChI Key

RANNKQFXRWOOEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-4.04

Polar Surface Area

51.235

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.78

References: we are preparing a list of scientific research reports with A0061786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061786?
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What is the minimum amount of A0061786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061786
  • 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 A0061786 available by request