A0015683 Screening compound: ethyl 4-({3-benzyl-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydro-7-quinazolinyl}carbonyl)tetrahydro-1(2H)-pyrazinecarboxylate

A0015683 Screening compound: ethyl 4-({3-benzyl-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydro-7-quinazolinyl}carbonyl)tetrahydro-1(2H)-pyrazinecarboxylate
A0015683 Screening compound: ethyl 4-({3-benzyl-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydro-7-quinazolinyl}carbonyl)tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015683
ethyl 4-({3-benzyl-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydro-7-quinazolinyl}carbonyl)tetrahydro-1(2H)-pyrazinecarboxylate

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

A0015683

Molecular Formula

C27H30N4O6S (C27 H30 N4 O6 S)

Compound Name

ethyl 4-({3-benzyl-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydro-7-quinazolinyl}carbonyl)tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{3-benzyl-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-oxo-34-dihydroquinazoline-7-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(CSC(N1Cc2ccccc2)=Nc(cc(cc2)C(N(CC3)CCN3C(OCC)=O)=O)c2C1=O)=O

InChI

InChI=1S/C27H30N4O6S/c1-3-36-23(32)18-38-26-28-22-16-20(24(33)29-12-14-30(15-13-29)27(35)37-4-2)10-11-21(22)25(34)31(26)17-19-8-6-5-7-9-19/h5-11,16H,3-4,12-15,17-18H2,1-2H3

InChI Key

PIUJJMHLPLUDLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.42

Polar Surface Area

85.630

Acid Dissociation Constant (pKa)

29.11

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

References: we are preparing a list of scientific research reports with A0015683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015683?
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What is the minimum amount of A0015683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015683
  • 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 A0015683 available by request