K061-0977 Screening compound: 2-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

K061-0977 Screening compound: 2-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
K061-0977 Screening compound: 2-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0977
2-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

K061-0977

Molecular Formula

C23H16F3N5O3 (C23 H16 F3 N5 O3)

Compound Name

2-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

[O-][N+](c(cc1)ccc1-c1nc2cc(C(N(CC3)Cc4c3cccc4)=O)nn2c(C(F)(F)F)c1)=O

InChI

InChI=1S/C23H16F3N5O3/c24-23(25,26)20-11-18(15-5-7-17(8-6-15)31(33)34)27-21-12-19(28-30(20)21)22(32)29-10-9-14-3-1-2-4-16(14)13-29/h1-8,11-12H,9-10,13H2

InChI Key

JJJGXICJWHMTIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.064

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-5.11

Polar Surface Area

68.089

Acid Dissociation Constant (pKa)

25.18

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with K061-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0977?
Check Price and Availability of K061-0977, 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 K061-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0977
  • 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 K061-0977 available by request