G334-0104 Screening compound: 1,3-dimethyl-7-({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)-4-phenyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

G334-0104 Screening compound: 1,3-dimethyl-7-({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)-4-phenyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
G334-0104 Screening compound: 1,3-dimethyl-7-({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)-4-phenyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G334-0104
1,3-dimethyl-7-({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)-4-phenyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-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

G334-0104

Molecular Formula

C28H28N4O2 (C28 H28 N4 O2)

Compound Name

1,3-dimethyl-7-({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)-4-phenyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

13-dimethyl-7-({5-methyl-2-[4-(propan-2-yl)phenyl]-13-oxazol-4-yl}methyl)-4-phenyl-1H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CC(C)c(cc1)ccc1-c1nc(CN(c(n(C)nc2C)c2C(c2ccccc2)=C2)C2=O)c(C)o1

InChI

InChI=1S/C28H28N4O2/c1-17(2)20-11-13-22(14-12-20)27-29-24(19(4)34-27)16-32-25(33)15-23(21-9-7-6-8-10-21)26-18(3)30-31(5)28(26)32/h6-15,17H,16H2,1-5H3

InChI Key

YJECNFFRKYDCJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.867

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-4.70

Polar Surface Area

48.315

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G334-0104 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G334-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G334-0104?
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What is the minimum amount of G334-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G334-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G334-0104
  • 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 G334-0104 available by request