G822-1054 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide

G822-1054 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide
G822-1054 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G822-1054
N-[(5-bromo-2-methoxyphenyl)methyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide

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

G822-1054

Molecular Formula

C20H14BrClN2O3 (C20 H14 BrClN2 O3)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-7-chlorofuro[23-b]quinoline-2-carboxamide

SMILES

COc(cc1)c(CNC(c(oc2nc3c4)cc2cc3ccc4Cl)=O)cc1Br

InChI

InChI=1S/C20H14BrClN2O3/c1-26-17-5-3-14(21)7-13(17)10-23-19(25)18-8-12-6-11-2-4-15(22)9-16(11)24-20(12)27-18/h2-9H,10H2,1H3,(H,23,25)

InChI Key

ADSYRBKIVMGIKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.7

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

5.425

Distribution Coefficient, logD

5.425

Water Solubility, LogSw

-6.01

Polar Surface Area

49.079

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G822-1054 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G822-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G822-1054?
Check Price and Availability of G822-1054, 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 G822-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G822-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G822-1054
  • 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 G822-1054 available by request