A0060925 Screening compound: ethyl 4-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperazine-1-carboxylate

A0060925 Screening compound: ethyl 4-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperazine-1-carboxylate
A0060925 Screening compound: ethyl 4-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0060925
ethyl 4-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperazine-1-carboxylate

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

A0060925

Molecular Formula

C24H26N4O6S (C24 H26 N4 O6 S)

Compound Name

ethyl 4-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[3-(25-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(NC(N2c(cc(cc3)OC)c3OC)=S)c1C2=O)=O)=O

InChI

InChI=1S/C24H26N4O6S/c1-4-34-24(31)27-11-9-26(10-12-27)21(29)15-5-7-17-18(13-15)25-23(35)28(22(17)30)19-14-16(32-2)6-8-20(19)33-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,35)

InChI Key

GYRFHIDNABQHAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.546

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-3.10

Polar Surface Area

81.008

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

A0060925 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with A0060925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0060925?
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What is the minimum amount of A0060925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0060925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0060925
  • 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 A0060925 available by request