A0016282 Screening compound: ethyl 2-({7-[benzyl(methyl)carbamoyl]-4-oxo-3-pentyl-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate

A0016282 Screening compound: ethyl 2-({7-[benzyl(methyl)carbamoyl]-4-oxo-3-pentyl-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate
A0016282 Screening compound: ethyl 2-({7-[benzyl(methyl)carbamoyl]-4-oxo-3-pentyl-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016282
ethyl 2-({7-[benzyl(methyl)carbamoyl]-4-oxo-3-pentyl-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

A0016282

Molecular Formula

C26H31N3O4S (C26 H31 N3 O4 S)

Compound Name

ethyl 2-({7-[benzyl(methyl)carbamoyl]-4-oxo-3-pentyl-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate

IUPAC name

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

SMILES

CCCCCN1C(SCC(OCC)=O)=Nc(cc(cc2)C(N(C)Cc3ccccc3)=O)c2C1=O

InChI

InChI=1S/C26H31N3O4S/c1-4-6-10-15-29-25(32)21-14-13-20(24(31)28(3)17-19-11-8-7-9-12-19)16-22(21)27-26(29)34-18-23(30)33-5-2/h7-9,11-14,16H,4-6,10,15,17-18H2,1-3H3

InChI Key

QEXKTQUGTDGQEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.643

Distribution Coefficient, logD

4.643

Water Solubility, LogSw

-4.31

Polar Surface Area

62.602

Acid Dissociation Constant (pKa)

27.54

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with A0016282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016282?
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What is the minimum amount of A0016282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016282
  • 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 A0016282 available by request