1762-0442 Screening compound: 1-pyrrolidinyl[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

1762-0442 Screening compound: 1-pyrrolidinyl[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
1762-0442 Screening compound: 1-pyrrolidinyl[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1762-0442
1-pyrrolidinyl[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

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

1762-0442

Molecular Formula

C16H13F3N4OS (C16 H13 F3 N4 OS)

Compound Name

1-pyrrolidinyl[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

IUPAC name

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

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1)N1CCCC1

InChI

InChI=1S/C16H13F3N4OS/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/h3-4,7-9H,1-2,5-6H2

InChI Key

KVCADDAEFKOZNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00809297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-3.78

Polar Surface Area

36.430

Acid Dissociation Constant (pKa)

27.58

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

1762-0442 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 1762-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1762-0442?
Check Price and Availability of 1762-0442, 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 1762-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1762-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1762-0442
  • 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 1762-0442 available by request