3209-0597 Screening compound: 3-chloro-N-[(pyridin-3-yl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0597 Screening compound: 3-chloro-N-[(pyridin-3-yl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0597 Screening compound: 3-chloro-N-[(pyridin-3-yl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0597
3-chloro-N-[(pyridin-3-yl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

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

3209-0597

Molecular Formula

C18H15ClF3N5OS (C18 H15 ClF3 N5 OS)

Compound Name

3-chloro-N-[(pyridin-3-yl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

3-chloro-N-[(pyridin-3-yl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn(C(CC(c2cccs2)N2)C(F)(F)F)c2c1Cl)NCc1cnccc1

InChI

InChI=1S/C18H15ClF3N5OS/c19-14-15(17(28)24-9-10-3-1-5-23-8-10)26-27-13(18(20,21)22)7-11(25-16(14)27)12-4-2-6-29-12/h1-6,8,11,13,25H,7,9H2,(H,24,28)

InChI Key

FDYAFRSSEFXQOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01922367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-3.92

Polar Surface Area

61.010

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

3209-0597 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3209-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0597?
Check Price and Availability of 3209-0597, 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 3209-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0597
  • 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 3209-0597 available by request