G856-9517 Screening compound: 3,3-dimethyl-N-[2-methyl-4-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]butanamide

G856-9517 Screening compound: 3,3-dimethyl-N-[2-methyl-4-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]butanamide
G856-9517 Screening compound: 3,3-dimethyl-N-[2-methyl-4-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9517
3,3-dimethyl-N-[2-methyl-4-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]butanamide

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

G856-9517

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

3,3-dimethyl-N-[2-methyl-4-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]butanamide

IUPAC name

33-dimethyl-N-[2-methyl-4-(2-methyl-4-oxo-34-dihydroquinazolin-3-yl)phenyl]butanamide

SMILES

CC(C)(C)CC(Nc(cc1)c(C)cc1N(C(C)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C22H25N3O2/c1-14-12-16(10-11-18(14)24-20(26)13-22(3,4)5)25-15(2)23-19-9-7-6-8-17(19)21(25)27/h6-12H,13H2,1-5H3,(H,24,26)

InChI Key

SKYGTJGGNFNZTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07648087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.82

Polar Surface Area

46.226

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G856-9517 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G856-9517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9517?
Check Price and Availability of G856-9517, 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 G856-9517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9517
  • 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 G856-9517 available by request