G663-1004 Screening compound: N-benzyl-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}butanamide

G663-1004 Screening compound: N-benzyl-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}butanamide
G663-1004 Screening compound: N-benzyl-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G663-1004
N-benzyl-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}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

G663-1004

Molecular Formula

C22H24N4O2 (C22 H24 N4 O2)

Compound Name

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

IUPAC name

N-benzyl-2-{4-oxo-3H4H6H7H8H9H-pyrimido[45-b]quinolin-3-yl}butanamide

SMILES

CCC(C(NCc1ccccc1)=O)N(C=Nc1c2cc(CCCC3)c3n1)C2=O

InChI

InChI=1S/C22H24N4O2/c1-2-19(21(27)23-13-15-8-4-3-5-9-15)26-14-24-20-17(22(26)28)12-16-10-6-7-11-18(16)25-20/h3-5,8-9,12,14,19H,2,6-7,10-11,13H2,1H3,(H,23,27)/t19-/m0/s1

InChI Key

SOONMBDNUGSPTH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15027119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

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

3.055

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.35

Polar Surface Area

60.728

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

G663-1004 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G663-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G663-1004?
Check Price and Availability of G663-1004, 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 G663-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G663-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G663-1004
  • 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 G663-1004 available by request