G219-1113 Screening compound: N-(4-bromo-2-fluorophenyl)-2-{[1-(3-fluorophenyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamide

G219-1113 Screening compound: N-(4-bromo-2-fluorophenyl)-2-{[1-(3-fluorophenyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamide
G219-1113 Screening compound: N-(4-bromo-2-fluorophenyl)-2-{[1-(3-fluorophenyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G219-1113
N-(4-bromo-2-fluorophenyl)-2-{[1-(3-fluorophenyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamide

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

G219-1113

Molecular Formula

C22H17BrF2N4O2 (C22 H17 BrF2 N4 O2)

Compound Name

N-(4-bromo-2-fluorophenyl)-2-{[1-(3-fluorophenyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-2-{[1-(3-fluorophenyl)-34-dimethyl-1H-pyrazolo[34-b]pyridin-6-yl]oxy}acetamide

SMILES

Cc(c(c(C)c1)c2nc1OCC(Nc(ccc(Br)c1)c1F)=O)nn2-c1cc(F)ccc1

InChI

InChI=1S/C22H17BrF2N4O2/c1-12-8-20(31-11-19(30)26-18-7-6-14(23)9-17(18)25)27-22-21(12)13(2)28-29(22)16-5-3-4-15(24)10-16/h3-10H,11H2,1-2H3,(H,26,30)

InChI Key

JJWBGBUYGLGZCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27211224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.305

Distribution Coefficient, logD

5.296

Water Solubility, LogSw

-5.50

Polar Surface Area

53.214

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G219-1113 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 G219-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G219-1113?
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What is the minimum amount of G219-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G219-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G219-1113
  • 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 G219-1113 available by request