G284-2233 Screening compound: 4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide

G284-2233 Screening compound: 4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide
G284-2233 Screening compound: 4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G284-2233
4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide

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

G284-2233

Molecular Formula

C29H29N5OS (C29 H29 N5 OS)

Compound Name

4-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide

IUPAC name

4-{[46-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[34-b]pyridin-1-yl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide

SMILES

Cc1c(c(-n2cccc2)nn2Cc(cc3)ccc3C(NCCc(cc3)ccc3SC)=O)c2nc(C)c1

InChI

InChI=1S/C29H29N5OS/c1-20-18-21(2)31-27-26(20)28(33-16-4-5-17-33)32-34(27)19-23-6-10-24(11-7-23)29(35)30-15-14-22-8-12-25(36-3)13-9-22/h4-13,16-18H,14-15,19H2,1-3H3,(H,30,35)

InChI Key

CEXSJSLXYSOQOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14994905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.292

Distribution Coefficient, logD

5.268

Water Solubility, LogSw

-5.44

Polar Surface Area

50.901

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

G284-2233 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 G284-2233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G284-2233?
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What is the minimum amount of G284-2233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G284-2233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G284-2233
  • 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 G284-2233 available by request