Y010-0258 Screening compound: 1-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

Y010-0258 Screening compound: 1-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine
Y010-0258 Screening compound: 1-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0258
1-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

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

Y010-0258

Molecular Formula

C16H17F3N4OS (C16 H17 F3 N4 OS)

Compound Name

1-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

IUPAC name

1-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carbonyl]pyrrolidine

SMILES

O=C(c1nn(C(CC(c2cccs2)N2)C(F)(F)F)c2c1)N1CCCC1

InChI

InChI=1S/C16H17F3N4OS/c17-16(18,19)13-8-10(12-4-3-7-25-12)20-14-9-11(21-23(13)14)15(24)22-5-1-2-6-22/h3-4,7,9-10,13,20H,1-2,5-6,8H2

InChI Key

USGBJVGJHWIFPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01922376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

3.076

Water Solubility, LogSw

-3.36

Polar Surface Area

45.799

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

Y010-0258 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y010-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0258?
Check Price and Availability of Y010-0258, 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 Y010-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0258
  • 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 Y010-0258 available by request