G663-0877 Screening compound: 2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}-N-[2-(trifluoromethyl)phenyl]butanamide

G663-0877 Screening compound: 2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}-N-[2-(trifluoromethyl)phenyl]butanamide
G663-0877 Screening compound: 2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}-N-[2-(trifluoromethyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G663-0877
2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}-N-[2-(trifluoromethyl)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

G663-0877

Molecular Formula

C22H21F3N4O2 (C22 H21 F3 N4 O2)

Compound Name

2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}-N-[2-(trifluoromethyl)phenyl]butanamide

IUPAC name

2-{4-oxo-3H4H6H7H8H9H-pyrimido[45-b]quinolin-3-yl}-N-[2-(trifluoromethyl)phenyl]butanamide

SMILES

CCC(C(Nc1c(C(F)(F)F)cccc1)=O)N(C=Nc1c2cc(CCCC3)c3n1)C2=O

InChI

InChI=1S/C22H21F3N4O2/c1-2-18(20(30)28-17-10-6-4-8-15(17)22(23,24)25)29-12-26-19-14(21(29)31)11-13-7-3-5-9-16(13)27-19/h4,6,8,10-12,18H,2-3,5,7,9H2,1H3,(H,28,30)/t18-/m0/s1

InChI Key

GHWAKNIEVRIPMN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15027091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.268

Distribution Coefficient, logD

4.268

Water Solubility, LogSw

-4.28

Polar Surface Area

58.708

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

G663-0877 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G663-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G663-0877?
Check Price and Availability of G663-0877, 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 G663-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G663-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G663-0877
  • 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 G663-0877 available by request