K610-0027 Screening compound: 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

K610-0027 Screening compound: 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
K610-0027 Screening compound: 2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K610-0027
2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-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

K610-0027

Molecular Formula

C25H25F3N4O3 (C25 H25 F3 N4 O3)

Compound Name

2-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[5-(34-dimethoxyphenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

COc(ccc(C(C1)Nc2cc(C(N(CC3)Cc4c3cccc4)=O)nn2C1C(F)(F)F)c1)c1OC

InChI

InChI=1S/C25H25F3N4O3/c1-34-20-8-7-16(11-21(20)35-2)18-12-22(25(26,27)28)32-23(29-18)13-19(30-32)24(33)31-10-9-15-5-3-4-6-17(15)14-31/h3-8,11,13,18,22,29H,9-10,12,14H2,1-2H3

InChI Key

WUVWDMCGCDEYFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.264

Distribution Coefficient, logD

4.264

Water Solubility, LogSw

-4.26

Polar Surface Area

59.337

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

-4.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

K610-0027 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K610-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K610-0027?
Check Price and Availability of K610-0027, 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 K610-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K610-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K610-0027
  • 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 K610-0027 available by request