SD48-0165 Screening compound: N-[2-(4-ethylpiperazino)ethyl]-3-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanamide

SD48-0165 Screening compound: N-[2-(4-ethylpiperazino)ethyl]-3-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanamide
SD48-0165 Screening compound: N-[2-(4-ethylpiperazino)ethyl]-3-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD48-0165
N-[2-(4-ethylpiperazino)ethyl]-3-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanamide

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

SD48-0165

Molecular Formula

C18H31N5O2 (C18 H31 N5 O2)

Compound Name

N-[2-(4-ethylpiperazino)ethyl]-3-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanamide

IUPAC name

N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-{1-methyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}propanamide

SMILES

CCN1CCN(CCNC(CCc2nn(C)c3c2COCC3)=O)CC1

InChI

InChI=1S/C18H31N5O2/c1-3-22-9-11-23(12-10-22)8-7-19-18(24)5-4-16-15-14-25-13-6-17(15)21(2)20-16/h3-14H2,1-2H3,(H,19,24)

InChI Key

RELSVFIDQPFFGR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.925

Distribution Coefficient, logD

-1.717

Water Solubility, LogSw

0.13

Polar Surface Area

55.639

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.78

SD48-0165 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 SD48-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD48-0165?
Check Price and Availability of SD48-0165, 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 SD48-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD48-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD48-0165
  • 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 SD48-0165 available by request