Y042-3070 Screening compound: 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid

Y042-3070 Screening compound: 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
Y042-3070 Screening compound: 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3070
1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid

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

Y042-3070

Molecular Formula

C9H12N2O2 (C9 H12 N2 O2)

Compound Name

1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid

IUPAC name

1H4H5H6H7H8H-cyclohepta[c]pyrazole-3-carboxylic acid

SMILES

OC(c1n[nH]c2c1CCCCC2)=O

InChI

InChI=1S/C9H12N2O2/c12-9(13)8-6-4-2-1-3-5-7(6)10-11-8/h1-5H2,(H,10,11)(H,12,13)

InChI Key

NFNLJMOKEMQHAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06740820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

180.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.161

Distribution Coefficient, logD

-1.726

Water Solubility, LogSw

-1.37

Polar Surface Area

53.931

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

Y042-3070 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y042-3070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3070?
Check Price and Availability of Y042-3070, 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 Y042-3070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3070
  • 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 Y042-3070 available by request