A0061071 Screening compound: 3-(4-fluorophenyl)-2-sulfanylidene-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2,3,4-tetrahydroquinazolin-4-one

A0061071 Screening compound: 3-(4-fluorophenyl)-2-sulfanylidene-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2,3,4-tetrahydroquinazolin-4-one
A0061071 Screening compound: 3-(4-fluorophenyl)-2-sulfanylidene-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061071
3-(4-fluorophenyl)-2-sulfanylidene-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-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

A0061071

Molecular Formula

C24H18FN3O2S (C24 H18 FN3 O2 S)

Compound Name

3-(4-fluorophenyl)-2-sulfanylidene-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-(4-fluorophenyl)-2-sulfanylidene-7-(1234-tetrahydroisoquinoline-2-carbonyl)-1234-tetrahydroquinazolin-4-one

SMILES

O=C(c(cc1)cc(NC(N2c(cc3)ccc3F)=S)c1C2=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C24H18FN3O2S/c25-18-6-8-19(9-7-18)28-23(30)20-10-5-16(13-21(20)26-24(28)31)22(29)27-12-11-15-3-1-2-4-17(15)14-27/h1-10,13H,11-12,14H2,(H,26,31)

InChI Key

AMMIXTLSCHLYDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.714

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-4.08

Polar Surface Area

43.017

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with A0061071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061071?
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What is the minimum amount of A0061071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061071
  • 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 A0061071 available by request