SB16-1002 Screening compound: 1-[(5aS,9aR)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]-3-cyclohexyl-1-propanone

SB16-1002 Screening compound: 1-[(5aS,9aR)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]-3-cyclohexyl-1-propanone
SB16-1002 Screening compound: 1-[(5aS,9aR)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]-3-cyclohexyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB16-1002
1-[(5aS,9aR)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]-3-cyclohexyl-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

SB16-1002

Molecular Formula

C18H32N2O2 (C18 H32 N2 O2)

Compound Name

1-[(5aS,9aR)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]-3-cyclohexyl-1-propanone

IUPAC name

1-[(5aS9aR)-7-methyl-decahydropyrido[43-e][14]oxazepin-1-yl]-3-cyclohexylpropan-1-one

SMILES

CN(CC1)C[C@@H](COCC2)[C@H]1N2C(CCC1CCCCC1)=O

InChI

InChI=1S/C18H32N2O2/c1-19-10-9-17-16(13-19)14-22-12-11-20(17)18(21)8-7-15-5-3-2-4-6-15/h15-17H,2-14H2,1H3/t16-,17-/m0/s1

InChI Key

WULSVZRIZRBVRV-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.344

Distribution Coefficient, logD

0.465

Water Solubility, LogSw

-1.96

Polar Surface Area

27.909

Acid Dissociation Constant (pKa)

25.07

Base Dissociation Constant (pKb)

9.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

94.44

SB16-1002 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 SB16-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB16-1002?
Check Price and Availability of SB16-1002, 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 SB16-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB16-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB16-1002
  • 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 SB16-1002 available by request