8017-5813 Screening compound: 8'-tert-butyl-1,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]

8017-5813 Screening compound: 8'-tert-butyl-1,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]
8017-5813 Screening compound: 8'-tert-butyl-1,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5813
8'-tert-butyl-1,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]

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

8017-5813

Molecular Formula

C26H28N2O (C26 H28 N2 O)

Compound Name

8'-tert-butyl-1,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]

IUPAC name

8'-tert-butyl-133-trimethyl-13-dihydrospiro[indole-23'-naphtho[21-b][14]oxazine]

SMILES

CC(C)(C)c(cc1cc2)ccc1c(N=C1)c2OC1(C1(C)C)N(C)c2c1cccc2

InChI

InChI=1S/C26H28N2O/c1-24(2,3)18-12-13-19-17(15-18)11-14-22-23(19)27-16-26(29-22)25(4,5)20-9-7-8-10-21(20)28(26)6/h7-16H,1-6H3/t26-/m1/s1

InChI Key

CRIZDYIZFVFMNR-AREMUKBSSA-N

MDL Number (MFCD)

MFCD06616683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.937

Distribution Coefficient, logD

6.937

Water Solubility, LogSw

-6.29

Polar Surface Area

14.941

Acid Dissociation Constant (pKa)

28.59

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

8017-5813 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-5813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5813?
Check Price and Availability of 8017-5813, 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 8017-5813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5813
  • 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 8017-5813 available by request