7610-3097 Screening compound: 7-(difluoromethyl)-3-{octahydropyrrolo[1,2-a]pyrazine-2-carbonyl}-5-phenylpyrazolo[1,5-a]pyrimidine

7610-3097 Screening compound: 7-(difluoromethyl)-3-{octahydropyrrolo[1,2-a]pyrazine-2-carbonyl}-5-phenylpyrazolo[1,5-a]pyrimidine
7610-3097 Screening compound: 7-(difluoromethyl)-3-{octahydropyrrolo[1,2-a]pyrazine-2-carbonyl}-5-phenylpyrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7610-3097
7-(difluoromethyl)-3-{octahydropyrrolo[1,2-a]pyrazine-2-carbonyl}-5-phenylpyrazolo[1,5-a]pyrimidine

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

7610-3097

Molecular Formula

C21H21F2N5O (C21 H21 F2 N5 O)

Compound Name

7-(difluoromethyl)-3-{octahydropyrrolo[1,2-a]pyrazine-2-carbonyl}-5-phenylpyrazolo[1,5-a]pyrimidine

IUPAC name

7-(difluoromethyl)-3-{octahydropyrrolo[12-a]pyrazine-2-carbonyl}-5-phenylpyrazolo[15-a]pyrimidine

SMILES

O=C(c(cnn1c(C(F)F)c2)c1nc2-c1ccccc1)N1CC(CCC2)N2CC1

InChI

InChI=1S/C21H21F2N5O/c22-19(23)18-11-17(14-5-2-1-3-6-14)25-20-16(12-24-28(18)20)21(29)27-10-9-26-8-4-7-15(26)13-27/h1-3,5-6,11-12,15,19H,4,7-10,13H2/t15-/m0/s1

InChI Key

CKIWXLCALMDKEA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02243492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.851

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-3.27

Polar Surface Area

39.450

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

7610-3097 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7610-3097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7610-3097?
Check Price and Availability of 7610-3097, 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 7610-3097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7610-3097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7610-3097
  • 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 7610-3097 available by request