SD61-0191 Screening compound: 6-[(6-methyl-3-pyridyl)carbonyl]-N~8~-(3-pyridylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

SD61-0191 Screening compound: 6-[(6-methyl-3-pyridyl)carbonyl]-N~8~-(3-pyridylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
SD61-0191 Screening compound: 6-[(6-methyl-3-pyridyl)carbonyl]-N~8~-(3-pyridylmethyl)-6-azaspiro[3.4]octane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD61-0191
6-[(6-methyl-3-pyridyl)carbonyl]-N~8~-(3-pyridylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

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

SD61-0191

Molecular Formula

C21H24N4O2 (C21 H24 N4 O2)

Compound Name

6-[(6-methyl-3-pyridyl)carbonyl]-N~8~-(3-pyridylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

IUPAC name

n/a

SMILES

Cc(cc1)ncc1C(N(C1)CC2(CCC2)C1C(NCc1cnccc1)=O)=O

InChI

InChI=1S/C21H24N4O2/c1-15-5-6-17(12-23-15)20(27)25-13-18(21(14-25)7-3-8-21)19(26)24-11-16-4-2-9-22-10-16/h2,4-6,9-10,12,18H,3,7-8,11,13-14H2,1H3,(H,24,26)/t18-/m0/s1

InChI Key

POKQAYCKVDBCMR-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.432

Distribution Coefficient, logD

0.429

Water Solubility, LogSw

-1.12

Polar Surface Area

60.246

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

SD61-0191 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 SD61-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD61-0191?
Check Price and Availability of SD61-0191, 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 SD61-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD61-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD61-0191
  • 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 SD61-0191 available by request