3886-1221 Screening compound: (7aS,13aR,13bS,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one

3886-1221 Screening compound: (7aS,13aR,13bS,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one
3886-1221 Screening compound: (7aS,13aR,13bS,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3886-1221
(7aS,13aR,13bS,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one

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

3886-1221

Molecular Formula

C15H24N2O (C15 H24 N2 O)

Compound Name

(7aS,13aR,13bS,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one

IUPAC name

(1R2R9S17S)-713-diazatetracyclo[7.7.1.0^{27}.0^{1317}]heptadecan-6-one

SMILES

O=C(CCC1)N(C[C@@H]2CCC3)[C@H]1[C@@H]1[C@H]2N3CCC1

InChI

InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12-,13-,15-/m1/s1

InChI Key

ZSBXGIUJOOQZMP-RGCMKSIDSA-N

MDL Number (MFCD)

MFCD01109101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.924

Distribution Coefficient, logD

-1.654

Water Solubility, LogSw

-0.95

Polar Surface Area

19.779

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

93.33

3886-1221 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Launched & Clinically Evaluated Drugs Library (185 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3886-1221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3886-1221?
Check Price and Availability of 3886-1221, 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 3886-1221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3886-1221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3886-1221
  • 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 3886-1221 available by request