8012-9450 Screening compound: 1-[7-(chlorodifluoromethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperidine

8012-9450 Screening compound: 1-[7-(chlorodifluoromethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperidine
8012-9450 Screening compound: 1-[7-(chlorodifluoromethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9450
1-[7-(chlorodifluoromethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperidine

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

8012-9450

Molecular Formula

C18H17ClF2N4OS (C18 H17 ClF2 N4 OS)

Compound Name

1-[7-(chlorodifluoromethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperidine

IUPAC name

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

SMILES

CC(CCCC1)N1C(c1nn2c(C(F)(F)Cl)cc(-c3cccs3)nc2c1)=O

InChI

InChI=1S/C18H17ClF2N4OS/c1-11-5-2-3-7-24(11)17(26)13-10-16-22-12(14-6-4-8-27-14)9-15(18(19,20)21)25(16)23-13/h4,6,8-11H,2-3,5,7H2,1H3/t11-/m0/s1

InChI Key

RSZUVXLNUUQVOB-NSHDSACASA-N

MDL Number (MFCD)

MFCD03308303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.87

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

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.77

Polar Surface Area

35.349

Acid Dissociation Constant (pKa)

25.99

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 8012-9450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9450?
Check Price and Availability of 8012-9450, 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 8012-9450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9450
  • 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 8012-9450 available by request