SD48-0661 Screening compound: 3-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-(3-phenylpiperidino)-1-propanone

SD48-0661 Screening compound: 3-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-(3-phenylpiperidino)-1-propanone
SD48-0661 Screening compound: 3-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-(3-phenylpiperidino)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD48-0661
3-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-(3-phenylpiperidino)-1-propanone

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

SD48-0661

Molecular Formula

C23H31N3O3 (C23 H31 N3 O3)

Compound Name

3-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-(3-phenylpiperidino)-1-propanone

IUPAC name

n/a

SMILES

COCCn1nc(CCC(N(CCC2)CC2c2ccccc2)=O)c2c1CCOC2

InChI

InChI=1S/C23H31N3O3/c1-28-15-13-26-22-11-14-29-17-20(22)21(24-26)9-10-23(27)25-12-5-8-19(16-25)18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-17H2,1H3/t19-/m0/s1

InChI Key

NCOSAEJWUDKPEQ-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.042

Distribution Coefficient, logD

2.042

Water Solubility, LogSw

-2.09

Polar Surface Area

47.896

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

SD48-0661 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 SD48-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD48-0661?
Check Price and Availability of SD48-0661, 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 SD48-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD48-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD48-0661
  • 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 SD48-0661 available by request