A0016279 Screening compound: ethyl 2-{[4-oxo-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate

A0016279 Screening compound: ethyl 2-{[4-oxo-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
A0016279 Screening compound: ethyl 2-{[4-oxo-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016279
ethyl 2-{[4-oxo-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroquinazolin-2-yl]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

A0016279

Molecular Formula

C28H34N4O4S (C28 H34 N4 O4 S)

Compound Name

ethyl 2-{[4-oxo-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[4-oxo-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)-34-dihydroquinazolin-2-yl]sulfanyl}acetate

SMILES

CCCCCN1C(SCC(OCC)=O)=Nc(cc(cc2)C(N(CC3)CCN3c3ccccc3)=O)c2C1=O

InChI

InChI=1S/C28H34N4O4S/c1-3-5-9-14-32-27(35)23-13-12-21(19-24(23)29-28(32)37-20-25(33)36-4-2)26(34)31-17-15-30(16-18-31)22-10-7-6-8-11-22/h6-8,10-13,19H,3-5,9,14-18,20H2,1-2H3

InChI Key

BJOYDWMSZUXTFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.21

Polar Surface Area

66.360

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with A0016279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016279?
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What is the minimum amount of A0016279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016279
  • 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 A0016279 available by request