G300-1129 Screening compound: ethyl 3-(2-{6-bromo-3-oxo-2-phenyl-1H,2H,3H,4H-chromeno[2,3-c]pyrazol-1-yl}acetamido)benzoate

G300-1129 Screening compound: ethyl 3-(2-{6-bromo-3-oxo-2-phenyl-1H,2H,3H,4H-chromeno[2,3-c]pyrazol-1-yl}acetamido)benzoate
G300-1129 Screening compound: ethyl 3-(2-{6-bromo-3-oxo-2-phenyl-1H,2H,3H,4H-chromeno[2,3-c]pyrazol-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G300-1129
ethyl 3-(2-{6-bromo-3-oxo-2-phenyl-1H,2H,3H,4H-chromeno[2,3-c]pyrazol-1-yl}acetamido)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

G300-1129

Molecular Formula

C27H22BrN3O5 (C27 H22 BrN3 O5)

Compound Name

ethyl 3-(2-{6-bromo-3-oxo-2-phenyl-1H,2H,3H,4H-chromeno[2,3-c]pyrazol-1-yl}acetamido)benzoate

IUPAC name

ethyl 3-(2-{6-bromo-3-oxo-2-phenyl-1H2H3H4H-chromeno[23-c]pyrazol-1-yl}acetamido)benzoate

SMILES

CCOC(c1cccc(NC(CN(C(Oc(cc2)c(C3)cc2Br)=C3C2=O)N2c2ccccc2)=O)c1)=O

InChI

InChI=1S/C27H22BrN3O5/c1-2-35-27(34)17-7-6-8-20(14-17)29-24(32)16-30-26-22(15-18-13-19(28)11-12-23(18)36-26)25(33)31(30)21-9-4-3-5-10-21/h3-14H,2,15-16H2,1H3,(H,29,32)

InChI Key

WGRAIWQNZOOVRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27213753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.667

Distribution Coefficient, logD

5.667

Water Solubility, LogSw

-5.49

Polar Surface Area

70.229

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

G300-1129 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with G300-1129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G300-1129?
Check Price and Availability of G300-1129, 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 G300-1129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G300-1129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G300-1129
  • 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 G300-1129 available by request