3209-0640 Screening compound: [(5R,7S)-3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](2-methylpiperidino)methanone

3209-0640 Screening compound: [(5R,7S)-3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](2-methylpiperidino)methanone
3209-0640 Screening compound: [(5R,7S)-3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](2-methylpiperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0640
[(5R,7S)-3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](2-methylpiperidino)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

3209-0640

Molecular Formula

C18H20ClF3N4OS (C18 H20 ClF3 N4 OS)

Compound Name

[(5R,7S)-3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](2-methylpiperidino)methanone

IUPAC name

1-[(5R7S)-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carbonyl]-2-methylpiperidine

SMILES

CC(CCCC1)N1C(c1nn([C@H](C[C@@H](c2cccs2)N2)C(F)(F)F)c2c1Cl)=O

InChI

InChI=1S/C18H20ClF3N4OS/c1-10-5-2-3-7-25(10)17(27)15-14(19)16-23-11(12-6-4-8-28-12)9-13(18(20,21)22)26(16)24-15/h4,6,8,10-11,13,23H,2-3,5,7,9H2,1H3/t10?,11-,13-/m1/s1

InChI Key

HXFMAPRWVFBYGN-LIXJUXSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.9

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

4.028

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.47

Polar Surface Area

43.012

Acid Dissociation Constant (pKa)

16.98

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

55.56

3209-0640 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3209-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0640?
Check Price and Availability of 3209-0640, 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 3209-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0640
  • 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 3209-0640 available by request