A0016394 Screening compound: N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

A0016394 Screening compound: N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
A0016394 Screening compound: N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pentyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016394
N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pentyl-3,4-dihydroquinazoline-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

A0016394

Molecular Formula

C29H28ClN3O3S (C29 H28 ClN3 O3 S)

Compound Name

N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-pentyl-34-dihydroquinazoline-7-carboxamide

SMILES

CCCCCN1C(SCC(c2ccccc2)=O)=Nc(cc(cc2)C(NCc3cccc(Cl)c3)=O)c2C1=O

InChI

InChI=1S/C29H28ClN3O3S/c1-2-3-7-15-33-28(36)24-14-13-22(27(35)31-18-20-9-8-12-23(30)16-20)17-25(24)32-29(33)37-19-26(34)21-10-5-4-6-11-21/h4-6,8-14,16-17H,2-3,7,15,18-19H2,1H3,(H,31,35)

InChI Key

LNYUNBYXKYJWKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.08

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.012

Distribution Coefficient, logD

6.012

Water Solubility, LogSw

-5.79

Polar Surface Area

63.681

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with A0016394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016394?
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What is the minimum amount of A0016394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016394
  • 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 A0016394 available by request