8008-3860 Screening compound: (4Z)-4a-hydroxy-4-(hydroxyimino)-8a-(morpholin-4-yl)-2,3,4,4a,4b,5,6,7,8,8a-decahydro-1H-carbazol-9-ium-9-olate

8008-3860 Screening compound: (4Z)-4a-hydroxy-4-(hydroxyimino)-8a-(morpholin-4-yl)-2,3,4,4a,4b,5,6,7,8,8a-decahydro-1H-carbazol-9-ium-9-olate
8008-3860 Screening compound: (4Z)-4a-hydroxy-4-(hydroxyimino)-8a-(morpholin-4-yl)-2,3,4,4a,4b,5,6,7,8,8a-decahydro-1H-carbazol-9-ium-9-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3860
(4Z)-4a-hydroxy-4-(hydroxyimino)-8a-(morpholin-4-yl)-2,3,4,4a,4b,5,6,7,8,8a-decahydro-1H-carbazol-9-ium-9-olate

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

8008-3860

Molecular Formula

C16H25N3O4 (C16 H25 N3 O4)

Compound Name

(4Z)-4a-hydroxy-4-(hydroxyimino)-8a-(morpholin-4-yl)-2,3,4,4a,4b,5,6,7,8,8a-decahydro-1H-carbazol-9-ium-9-olate

IUPAC name

(4Z)-4a-hydroxy-4-(hydroxyimino)-8a-(morpholin-4-yl)-2344a4b56788a-decahydro-1H-carbazol-9-ium-9-olate

SMILES

[O-][N+](C1(C2CCCC1)N1CCOCC1)=C(CCC/C1=N/O)C12O

InChI

InChI=1S/C16H25N3O4/c20-16-12-4-1-2-7-15(12,18-8-10-23-11-9-18)19(22)14(16)6-3-5-13(16)17-21/h12,20-21H,1-11H2

InChI Key

RVDDMZVJRQNLED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01306212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.073

Distribution Coefficient, logD

1.019

Water Solubility, LogSw

-1.13

Polar Surface Area

74.312

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

87.50

8008-3860 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 8008-3860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3860?
Check Price and Availability of 8008-3860, 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 8008-3860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3860
  • 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 8008-3860 available by request