A0060831 Screening compound: 3-benzyl-2-sulfanylidene-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2,3,4-tetrahydroquinazolin-4-one

A0060831 Screening compound: 3-benzyl-2-sulfanylidene-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,2,3,4-tetrahydroquinazolin-4-one
A0060831 Screening compound: 3-benzyl-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 A0060831
3-benzyl-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

A0060831

Molecular Formula

C25H21N3O2S (C25 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(NC(N2Cc3ccccc3)=S)c1C2=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H21N3O2S/c29-23(27-13-12-18-8-4-5-9-20(18)16-27)19-10-11-21-22(14-19)26-25(31)28(24(21)30)15-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,26,31)

InChI Key

JTLDPYCWXIMVMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.276

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.25

Polar Surface Area

43.628

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with A0060831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0060831?
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What is the minimum amount of A0060831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0060831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0060831
  • 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 A0060831 available by request