G857-0028 Screening compound: N-(naphthalen-1-yl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide

G857-0028 Screening compound: N-(naphthalen-1-yl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide
G857-0028 Screening compound: N-(naphthalen-1-yl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0028
N-(naphthalen-1-yl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide

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

G857-0028

Molecular Formula

C20H19N3O2S (C20 H19 N3 O2 S)

Compound Name

N-(naphthalen-1-yl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide

IUPAC name

N-(naphthalen-1-yl)-2-[(2-oxo-125678-hexahydroquinazolin-4-yl)sulfanyl]acetamide

SMILES

O=C(CSC(C(CCCC1)=C1N1)=NC1=O)Nc1cccc2ccccc12

InChI

InChI=1S/C20H19N3O2S/c24-18(21-16-11-5-7-13-6-1-2-8-14(13)16)12-26-19-15-9-3-4-10-17(15)22-20(25)23-19/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,24)(H,22,23,25)

InChI Key

CERLWLIGAZTJNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07649867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.932

Distribution Coefficient, logD

2.903

Water Solubility, LogSw

-3.36

Polar Surface Area

54.571

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G857-0028 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G857-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0028?
Check Price and Availability of G857-0028, 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 G857-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0028
  • 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 G857-0028 available by request