A0015893 Screening compound: ethyl 2-[(7-{[(2-chlorophenyl)methyl]carbamoyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate

A0015893 Screening compound: ethyl 2-[(7-{[(2-chlorophenyl)methyl]carbamoyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
A0015893 Screening compound: ethyl 2-[(7-{[(2-chlorophenyl)methyl]carbamoyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015893
ethyl 2-[(7-{[(2-chlorophenyl)methyl]carbamoyl}-4-oxo-3-(2-phenylethyl)-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

A0015893

Molecular Formula

C28H26ClN3O4S (C28 H26 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CSC(N1CCc2ccccc2)=Nc(cc(cc2)C(NCc(cccc3)c3Cl)=O)c2C1=O)=O

InChI

InChI=1S/C28H26ClN3O4S/c1-2-36-25(33)18-37-28-31-24-16-20(26(34)30-17-21-10-6-7-11-23(21)29)12-13-22(24)27(35)32(28)15-14-19-8-4-3-5-9-19/h3-13,16H,2,14-15,17-18H2,1H3,(H,30,34)

InChI Key

JJGBDLYECKFVOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.05

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.076

Distribution Coefficient, logD

5.076

Water Solubility, LogSw

-5.21

Polar Surface Area

70.593

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with A0015893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015893?
Check Price and Availability of A0015893, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of A0015893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015893
  • 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 A0015893 available by request