3448-8701 Screening compound: ethyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate

3448-8701 Screening compound: ethyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate
3448-8701 Screening compound: ethyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-8701
ethyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate

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

3448-8701

Molecular Formula

C7H8N4O2 (C7 H8 N4 O2)

Compound Name

ethyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate

IUPAC name

ethyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate

SMILES

CCOC(n1ncc(C#N)c1N)=O

InChI

InChI=1S/C7H8N4O2/c1-2-13-7(12)11-6(9)5(3-8)4-10-11/h4H,2,9H2,1H3

InChI Key

YTUIXXYRESZOKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01995584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

180.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.312

Distribution Coefficient, logD

0.312

Water Solubility, LogSw

-1.09

Polar Surface Area

70.131

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

3448-8701 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3448-8701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-8701?
Check Price and Availability of 3448-8701, 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 3448-8701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-8701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-8701
  • 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 3448-8701 available by request