C734-0417 Screening compound: N-butyl-2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-methylacetamide

C734-0417 Screening compound: N-butyl-2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-methylacetamide
C734-0417 Screening compound: N-butyl-2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C734-0417
N-butyl-2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-methylacetamide

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

C734-0417

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

N-butyl-2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-methylacetamide

IUPAC name

N-butyl-2-{1H4H-chromeno[43-c]pyrazol-1-yl}-N-methylacetamide

SMILES

CCCCN(C)C(Cn1ncc2c1-c(cccc1)c1OC2)=O

InChI

InChI=1S/C17H21N3O2/c1-3-4-9-19(2)16(21)11-20-17-13(10-18-20)12-22-15-8-6-5-7-14(15)17/h5-8,10H,3-4,9,11-12H2,1-2H3

InChI Key

TTXACFMMDONHLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

1.902

Water Solubility, LogSw

-2.63

Polar Surface Area

38.051

Acid Dissociation Constant (pKa)

20.72

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

C734-0417 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C734-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C734-0417?
Check Price and Availability of C734-0417, 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 C734-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C734-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C734-0417
  • 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 C734-0417 available by request