A0061797 Screening compound: 3-(4-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

A0061797 Screening compound: 3-(4-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
A0061797 Screening compound: 3-(4-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061797
3-(4-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-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

A0061797

Molecular Formula

C22H23FN4O3S (C22 H23 FN4 O3 S)

Compound Name

3-(4-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

3-(4-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(NC(N2c(cc3)ccc3F)=S)c1C2=O)NCCCN1CCOCC1

InChI

InChI=1S/C22H23FN4O3S/c23-16-3-5-17(6-4-16)27-21(29)18-7-2-15(14-19(18)25-22(27)31)20(28)24-8-1-9-26-10-12-30-13-11-26/h2-7,14H,1,8-13H2,(H,24,28)(H,25,31)

InChI Key

RSMAQPNVGHKSMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.709

Distribution Coefficient, logD

1.321

Water Solubility, LogSw

-2.68

Polar Surface Area

62.852

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with A0061797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061797?
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What is the minimum amount of A0061797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061797
  • 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 A0061797 available by request