A0015696 Screening compound: ethyl 2-({3-benzyl-7-[(3,5-dimethylphenyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate

A0015696 Screening compound: ethyl 2-({3-benzyl-7-[(3,5-dimethylphenyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate
A0015696 Screening compound: ethyl 2-({3-benzyl-7-[(3,5-dimethylphenyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015696
ethyl 2-({3-benzyl-7-[(3,5-dimethylphenyl)carbamoyl]-4-oxo-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

A0015696

Molecular Formula

C28H27N3O4S (C28 H27 N3 O4 S)

Compound Name

ethyl 2-({3-benzyl-7-[(3,5-dimethylphenyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate

IUPAC name

ethyl 2-({3-benzyl-7-[(35-dimethylphenyl)carbamoyl]-4-oxo-34-dihydroquinazolin-2-yl}sulfanyl)acetate

SMILES

CCOC(CSC(N1Cc2ccccc2)=Nc(cc(cc2)C(Nc3cc(C)cc(C)c3)=O)c2C1=O)=O

InChI

InChI=1S/C28H27N3O4S/c1-4-35-25(32)17-36-28-30-24-15-21(26(33)29-22-13-18(2)12-19(3)14-22)10-11-23(24)27(34)31(28)16-20-8-6-5-7-9-20/h5-15H,4,16-17H2,1-3H3,(H,29,33)

InChI Key

HFPXWTNCHFWVHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.222

Distribution Coefficient, logD

5.222

Water Solubility, LogSw

-4.95

Polar Surface Area

69.292

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with A0015696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015696?
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What is the minimum amount of A0015696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015696
  • 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 A0015696 available by request