8014-1728 Screening compound: 10-hexadecyl-1-nitro-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one

8014-1728 Screening compound: 10-hexadecyl-1-nitro-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one
8014-1728 Screening compound: 10-hexadecyl-1-nitro-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1728
10-hexadecyl-1-nitro-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-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

8014-1728

Molecular Formula

C35H44N2O5 (C35 H44 N2 O5)

Compound Name

10-hexadecyl-1-nitro-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one

IUPAC name

9-hexadecyl-12-nitro-14-phenoxy-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-10-one

SMILES

CCCCCCCCCCCCCCCCN(c(cccc1)c1Oc1cc(Oc2ccccc2)cc([N+]([O-])=O)c11)C1=O

InChI

InChI=1S/C35H44N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-36-30-23-18-19-24-32(30)42-33-27-29(41-28-21-16-15-17-22-28)26-31(37(39)40)34(33)35(36)38/h15-19,21-24,26-27H,2-14,20,25H2,1H3

InChI Key

OXOOVTKYMPPCCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

11.901

Distribution Coefficient, logD

11.901

Water Solubility, LogSw

-5.78

Polar Surface Area

62.643

Acid Dissociation Constant (pKa)

27.71

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.71

8014-1728 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8014-1728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1728?
Check Price and Availability of 8014-1728, 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 8014-1728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1728
  • 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 8014-1728 available by request