G822-0839 Screening compound: methyl 2-{7-chlorofuro[2,3-b]quinoline-2-amido}benzoate

G822-0839 Screening compound: methyl 2-{7-chlorofuro[2,3-b]quinoline-2-amido}benzoate
G822-0839 Screening compound: methyl 2-{7-chlorofuro[2,3-b]quinoline-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G822-0839
methyl 2-{7-chlorofuro[2,3-b]quinoline-2-amido}benzoate

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

G822-0839

Molecular Formula

C20H13ClN2O4 (C20 H13 ClN2 O4)

Compound Name

methyl 2-{7-chlorofuro[2,3-b]quinoline-2-amido}benzoate

IUPAC name

methyl 2-{7-chlorofuro[23-b]quinoline-2-amido}benzoate

SMILES

COC(c(cccc1)c1NC(c1cc(cc(ccc(Cl)c2)c2n2)c2o1)=O)=O

InChI

InChI=1S/C20H13ClN2O4/c1-26-20(25)14-4-2-3-5-15(14)22-18(24)17-9-12-8-11-6-7-13(21)10-16(11)23-19(12)27-17/h2-10H,1H3,(H,22,24)

InChI Key

PULBGMHAJPIILT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.484

Water Solubility, LogSw

-5.05

Polar Surface Area

60.602

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

G822-0839 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 G822-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G822-0839?
Check Price and Availability of G822-0839, 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 G822-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G822-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G822-0839
  • 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 G822-0839 available by request