A0015681 Screening compound: ETHYL 2-{[3-BENZYL-7-(BENZYLCARBAMOYL)-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL]SULFANYL}ACETATE

A0015681 Screening compound: ETHYL 2-{[3-BENZYL-7-(BENZYLCARBAMOYL)-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL]SULFANYL}ACETATE
A0015681 Screening compound: ETHYL 2-{[3-BENZYL-7-(BENZYLCARBAMOYL)-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL]SULFANYL}ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015681
ETHYL 2-{[3-BENZYL-7-(BENZYLCARBAMOYL)-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

A0015681

Molecular Formula

C27H25N3O4S (C27 H25 N3 O4 S)

Compound Name

ETHYL 2-{[3-BENZYL-7-(BENZYLCARBAMOYL)-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL]SULFANYL}ACETATE

IUPAC name

n/a

SMILES

CCOC(CSC(N1Cc2ccccc2)=Nc(cc(cc2)C(NCc3ccccc3)=O)c2C1=O)=O

InChI

InChI=1S/C27H25N3O4S/c1-2-34-24(31)18-35-27-29-23-15-21(25(32)28-16-19-9-5-3-6-10-19)13-14-22(23)26(33)30(27)17-20-11-7-4-8-12-20/h3-15H,2,16-18H2,1H3,(H,28,32)

InChI Key

JMGLLVLRXHTFME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.195

Distribution Coefficient, logD

4.195

Water Solubility, LogSw

-4.21

Polar Surface Area

70.615

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with A0015681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015681?
Check Price and Availability of A0015681, 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 A0015681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015681
  • 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 A0015681 available by request