G746-0081 Screening compound: N-{7-chloro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-3-cyclohexylpropanamide

G746-0081 Screening compound: N-{7-chloro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-3-cyclohexylpropanamide
G746-0081 Screening compound: N-{7-chloro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-3-cyclohexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G746-0081
N-{7-chloro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-3-cyclohexylpropanamide

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

G746-0081

Molecular Formula

C18H22ClN3O2 (C18 H22 ClN3 O2)

Compound Name

N-{7-chloro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-3-cyclohexylpropanamide

IUPAC name

N-{7-chloro-2-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}-3-cyclohexylpropanamide

SMILES

CC(N=C(C=CC(Cl)=C1)N1C1=O)=C1NC(CCC1CCCCC1)=O

InChI

InChI=1S/C18H22ClN3O2/c1-12-17(18(24)22-11-14(19)8-9-15(22)20-12)21-16(23)10-7-13-5-3-2-4-6-13/h8-9,11,13H,2-7,10H2,1H3,(H,21,23)

InChI Key

ULPTVZCRPOGASP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08322227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.84

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

2.592

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-3.33

Polar Surface Area

48.924

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G746-0081 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with G746-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G746-0081?
Check Price and Availability of G746-0081, 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 G746-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G746-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G746-0081
  • 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 G746-0081 available by request