A0060898 Screening compound: N-(3,5-dimethylphenyl)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

A0060898 Screening compound: N-(3,5-dimethylphenyl)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
A0060898 Screening compound: N-(3,5-dimethylphenyl)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0060898
N-(3,5-dimethylphenyl)-4-oxo-3-(2-phenylethyl)-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

A0060898

Molecular Formula

C25H23N3O2S (C25 H23 N3 O2 S)

Compound Name

N-(3,5-dimethylphenyl)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-(35-dimethylphenyl)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

Cc1cc(NC(c(cc2)cc(NC(N3CCc4ccccc4)=S)c2C3=O)=O)cc(C)c1

InChI

InChI=1S/C25H23N3O2S/c1-16-12-17(2)14-20(13-16)26-23(29)19-8-9-21-22(15-19)27-25(31)28(24(21)30)11-10-18-6-4-3-5-7-18/h3-9,12-15H,10-11H2,1-2H3,(H,26,29)(H,27,31)

InChI Key

ZIDDKEBMCVWXRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

5.170

Water Solubility, LogSw

-5.00

Polar Surface Area

50.387

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

A0060898 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with A0060898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0060898?
Check Price and Availability of A0060898, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of A0060898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0060898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0060898
  • 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 A0060898 available by request