G239-1047 Screening compound: N-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-(3-methyl-1H-pyrazol-1-yl)propanamide

G239-1047 Screening compound: N-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-(3-methyl-1H-pyrazol-1-yl)propanamide
G239-1047 Screening compound: N-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-(3-methyl-1H-pyrazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G239-1047
N-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-(3-methyl-1H-pyrazol-1-yl)propanamide

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

G239-1047

Molecular Formula

C17H21N5O (C17 H21 N5 O)

Compound Name

N-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-(3-methyl-1H-pyrazol-1-yl)propanamide

IUPAC name

N-[2-(5-methyl-1H-13-benzodiazol-2-yl)ethyl]-3-(3-methyl-1H-pyrazol-1-yl)propanamide

SMILES

Cc1nn(CCC(NCCc2nc(cc(C)cc3)c3[nH]2)=O)cc1

InChI

InChI=1S/C17H21N5O/c1-12-3-4-14-15(11-12)20-16(19-14)5-8-18-17(23)7-10-22-9-6-13(2)21-22/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,18,23)(H,19,20)

InChI Key

CSKIVNISKRTHRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14989371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.341

Distribution Coefficient, logD

1.333

Water Solubility, LogSw

-1.94

Polar Surface Area

59.006

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G239-1047 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 G239-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G239-1047?
Check Price and Availability of G239-1047, 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 G239-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G239-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G239-1047
  • 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 G239-1047 available by request