G117-0261 Screening compound: 2-[3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-6,7-dihydro-1H-indazol-7-yl]-N-(3-methylbutyl)acetamide

G117-0261 Screening compound: 2-[3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-6,7-dihydro-1H-indazol-7-yl]-N-(3-methylbutyl)acetamide
G117-0261 Screening compound: 2-[3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-6,7-dihydro-1H-indazol-7-yl]-N-(3-methylbutyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G117-0261
2-[3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-6,7-dihydro-1H-indazol-7-yl]-N-(3-methylbutyl)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

G117-0261

Molecular Formula

C29H33N3O3 (C29 H33 N3 O3)

Compound Name

2-[3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-6,7-dihydro-1H-indazol-7-yl]-N-(3-methylbutyl)acetamide

IUPAC name

2-[3-(4-methoxyphenyl)-4-methyl-1-(2-methylphenyl)-6-oxo-67-dihydro-1H-indazol-7-yl]-N-(3-methylbutyl)acetamide

SMILES

CC(C)CCNC(CC(c(n(-c1c(C)cccc1)nc1-c(cc2)ccc2OC)c1C(C)=C1)C1=O)=O

InChI

InChI=1S/C29H33N3O3/c1-18(2)14-15-30-26(34)17-23-25(33)16-20(4)27-28(21-10-12-22(35-5)13-11-21)31-32(29(23)27)24-9-7-6-8-19(24)3/h6-13,16,18,23H,14-15,17H2,1-5H3,(H,30,34)/t23-/m1/s1

InChI Key

HIEREPBYQKYJLE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14980969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.239

Distribution Coefficient, logD

5.075

Water Solubility, LogSw

-5.13

Polar Surface Area

58.944

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

G117-0261 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 G117-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G117-0261?
Check Price and Availability of G117-0261, 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 G117-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G117-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G117-0261
  • 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 G117-0261 available by request