A0060899 Screening compound: N-cyclohexyl-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

A0060899 Screening compound: N-cyclohexyl-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
A0060899 Screening compound: N-cyclohexyl-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0060899
N-cyclohexyl-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

A0060899

Molecular Formula

C23H25N3O2S (C23 H25 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(NC(N2CCc3ccccc3)=S)c1C2=O)NC1CCCCC1

InChI

InChI=1S/C23H25N3O2S/c27-21(24-18-9-5-2-6-10-18)17-11-12-19-20(15-17)25-23(29)26(22(19)28)14-13-16-7-3-1-4-8-16/h1,3-4,7-8,11-12,15,18H,2,5-6,9-10,13-14H2,(H,24,27)(H,25,29)

InChI Key

IAZSQRXKQCISEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.54

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

4.508

Distribution Coefficient, logD

4.500

Water Solubility, LogSw

-4.33

Polar Surface Area

51.435

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with A0060899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0060899?
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What is the minimum amount of A0060899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0060899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0060899
  • 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 A0060899 available by request