Y041-5807 Screening compound: 2-[3-(2-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Y041-5807 Screening compound: 2-[3-(2-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Y041-5807 Screening compound: 2-[3-(2-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5807
2-[3-(2-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-6,7-dimethoxy-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

Y041-5807

Molecular Formula

C22H22ClN3O3 (C22 H22 ClN3 O3)

Compound Name

2-[3-(2-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[3-(2-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-67-dimethoxy-1234-tetrahydroisoquinoline

SMILES

Cn(c(C(N(CC1)Cc(cc2OC)c1cc2OC)=O)c1)nc1-c(cccc1)c1Cl

InChI

InChI=1S/C22H22ClN3O3/c1-25-19(12-18(24-25)16-6-4-5-7-17(16)23)22(27)26-9-8-14-10-20(28-2)21(29-3)11-15(14)13-26/h4-7,10-12H,8-9,13H2,1-3H3

InChI Key

WIRONRCAEHAEGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22583405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.463

Distribution Coefficient, logD

3.463

Water Solubility, LogSw

-3.78

Polar Surface Area

45.054

Acid Dissociation Constant (pKa)

25.15

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with Y041-5807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5807?
Check Price and Availability of Y041-5807, 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 Y041-5807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5807
  • 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 Y041-5807 available by request