8015-6671 Screening compound: N-[4-(cyanomethyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide

8015-6671 Screening compound: N-[4-(cyanomethyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
8015-6671 Screening compound: N-[4-(cyanomethyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6671
N-[4-(cyanomethyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide

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

8015-6671

Molecular Formula

C15H15N5O3 (C15 H15 N5 O3)

Compound Name

N-[4-(cyanomethyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide

IUPAC name

N-[4-(cyanomethyl)phenyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide

SMILES

N#CCc(cc1)ccc1NC(CCCn1ncc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C15H15N5O3/c16-8-7-12-3-5-13(6-4-12)18-15(21)2-1-9-19-11-14(10-17-19)20(22)23/h3-6,10-11H,1-2,7,9H2,(H,18,21)

InChI Key

CTTKOXRXMCAKMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.522

Distribution Coefficient, logD

0.521

Water Solubility, LogSw

-2.02

Polar Surface Area

88.745

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8015-6671 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 8015-6671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6671?
Check Price and Availability of 8015-6671, 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 8015-6671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6671
  • 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 8015-6671 available by request