A0061874 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

A0061874 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
A0061874 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061874
3-(3,4-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-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

A0061874

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

3-(3,4-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

3-(34-dimethoxyphenyl)-N-(23-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

CC(CCC1)C(C)C1NC(c(cc1)cc(NC(N2c(cc3)cc(OC)c3OC)=S)c1C2=O)=O

InChI

InChI=1S/C25H29N3O4S/c1-14-6-5-7-19(15(14)2)26-23(29)16-8-10-18-20(12-16)27-25(33)28(24(18)30)17-9-11-21(31-3)22(13-17)32-4/h8-15,19H,5-7H2,1-4H3,(H,26,29)(H,27,33)

InChI Key

JZWIXGHKCHIWOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.561

Water Solubility, LogSw

-3.90

Polar Surface Area

66.496

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with A0061874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061874?
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What is the minimum amount of A0061874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061874
  • 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 A0061874 available by request