A0016420 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N,N-diethyl-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide

A0016420 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N,N-diethyl-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
A0016420 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N,N-diethyl-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016420
2-{[(3-chlorophenyl)methyl]sulfanyl}-N,N-diethyl-4-oxo-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

A0016420

Molecular Formula

C25H30ClN3O2S (C25 H30 ClN3 O2 S)

Compound Name

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

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-NN-diethyl-4-oxo-3-pentyl-34-dihydroquinazoline-7-carboxamide

SMILES

CCCCCN1C(SCc2cccc(Cl)c2)=Nc(cc(cc2)C(N(CC)CC)=O)c2C1=O

InChI

InChI=1S/C25H30ClN3O2S/c1-4-7-8-14-29-24(31)21-13-12-19(23(30)28(5-2)6-3)16-22(21)27-25(29)32-17-18-10-9-11-20(26)15-18/h9-13,15-16H,4-8,14,17H2,1-3H3

InChI Key

XEDYTHFDVYCAJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.532

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-5.69

Polar Surface Area

41.953

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with A0016420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016420?
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What is the minimum amount of A0016420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016420
  • 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 A0016420 available by request