G857-0044 Screening compound: N-(2-methylphenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide

G857-0044 Screening compound: N-(2-methylphenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide
G857-0044 Screening compound: N-(2-methylphenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0044
N-(2-methylphenyl)-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

G857-0044

Molecular Formula

C17H19N3O2S (C17 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(CSC(C(CCCC1)=C1N1)=NC1=O)=O

InChI

InChI=1S/C17H19N3O2S/c1-11-6-2-4-8-13(11)18-15(21)10-23-16-12-7-3-5-9-14(12)19-17(22)20-16/h2,4,6,8H,3,5,7,9-10H2,1H3,(H,18,21)(H,19,20,22)

InChI Key

FUKAWRLNVYEVSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07649884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.42

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

2.158

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-2.52

Polar Surface Area

54.843

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G857-0044 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G857-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0044?
Check Price and Availability of G857-0044, 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 G857-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0044
  • 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 G857-0044 available by request