A0016093 Screening compound: ethyl 2-[(7-{[(2-chlorobenzyl)amino]carbonyl}-3-cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate

A0016093 Screening compound: ethyl 2-[(7-{[(2-chlorobenzyl)amino]carbonyl}-3-cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate
A0016093 Screening compound: ethyl 2-[(7-{[(2-chlorobenzyl)amino]carbonyl}-3-cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016093
ethyl 2-[(7-{[(2-chlorobenzyl)amino]carbonyl}-3-cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate

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

A0016093

Molecular Formula

C26H28ClN3O4S (C26 H28 ClN3 O4 S)

Compound Name

ethyl 2-[(7-{[(2-chlorobenzyl)amino]carbonyl}-3-cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetate

IUPAC name

ethyl 2-[(7-{[(2-chlorophenyl)methyl]carbamoyl}-3-cyclohexyl-4-oxo-34-dihydroquinazolin-2-yl)sulfanyl]acetate

SMILES

CCOC(CSC(N1C2CCCCC2)=Nc(cc(cc2)C(NCc(cccc3)c3Cl)=O)c2C1=O)=O

InChI

InChI=1S/C26H28ClN3O4S/c1-2-34-23(31)16-35-26-29-22-14-17(24(32)28-15-18-8-6-7-11-21(18)27)12-13-20(22)25(33)30(26)19-9-4-3-5-10-19/h6-8,11-14,19H,2-5,9-10,15-16H2,1H3,(H,28,32)

InChI Key

OHWRACSBVOLYAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-5.08

Polar Surface Area

69.836

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

References: we are preparing a list of scientific research reports with A0016093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016093?
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What is the minimum amount of A0016093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016093
  • 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 A0016093 available by request