G852-0228 Screening compound: 6-{[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl}-1,2-dihydroquinolin-2-one

G852-0228 Screening compound: 6-{[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl}-1,2-dihydroquinolin-2-one
G852-0228 Screening compound: 6-{[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl}-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G852-0228
6-{[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl}-1,2-dihydroquinolin-2-one

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

G852-0228

Molecular Formula

C21H22N2O5S (C21 H22 N2 O5 S)

Compound Name

6-{[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl}-1,2-dihydroquinolin-2-one

IUPAC name

6-{[3-(25-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl}-12-dihydroquinolin-2-one

SMILES

COc(cc1)cc(C(CC2)CN2S(c(cc2)cc(C=C3)c2NC3=O)(=O)=O)c1OC

InChI

InChI=1S/C21H22N2O5S/c1-27-16-4-7-20(28-2)18(12-16)15-9-10-23(13-15)29(25,26)17-5-6-19-14(11-17)3-8-21(24)22-19/h3-8,11-12,15H,9-10,13H2,1-2H3,(H,22,24)/t15-/m1/s1

InChI Key

XCCWJJKFZFMQOV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD15040740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.408

Water Solubility, LogSw

-3.79

Polar Surface Area

71.972

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

G852-0228 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with G852-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G852-0228?
Check Price and Availability of G852-0228, 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 G852-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G852-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G852-0228
  • 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 G852-0228 available by request