A0061344 Screening compound: N-[(4-fluorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

A0061344 Screening compound: N-[(4-fluorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
A0061344 Screening compound: N-[(4-fluorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061344
N-[(4-fluorophenyl)methyl]-4-oxo-3-pentyl-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

A0061344

Molecular Formula

C21H22FN3O2S (C21 H22 FN3 O2 S)

Compound Name

N-[(4-fluorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

CCCCCN(C(c(ccc(C(NCc(cc1)ccc1F)=O)c1)c1N1)=O)C1=S

InChI

InChI=1S/C21H22FN3O2S/c1-2-3-4-11-25-20(27)17-10-7-15(12-18(17)24-21(25)28)19(26)23-13-14-5-8-16(22)9-6-14/h5-10,12H,2-4,11,13H2,1H3,(H,23,26)(H,24,28)

InChI Key

IJXIVQQHNXXUHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

4.411

Water Solubility, LogSw

-4.14

Polar Surface Area

51.981

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with A0061344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061344?
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What is the minimum amount of A0061344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061344
  • 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 A0061344 available by request