8009-8284 Screening compound: 2-bicyclo[2.2.1]hept-5-en-2-yl-1-(3-morpholino-5-nitro-1-benzofuran-2-yl)-2-propanol

8009-8284 Screening compound: 2-bicyclo[2.2.1]hept-5-en-2-yl-1-(3-morpholino-5-nitro-1-benzofuran-2-yl)-2-propanol
8009-8284 Screening compound: 2-bicyclo[2.2.1]hept-5-en-2-yl-1-(3-morpholino-5-nitro-1-benzofuran-2-yl)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8284
2-bicyclo[2.2.1]hept-5-en-2-yl-1-(3-morpholino-5-nitro-1-benzofuran-2-yl)-2-propanol

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

8009-8284

Molecular Formula

C22H26N2O5 (C22 H26 N2 O5)

Compound Name

2-bicyclo[2.2.1]hept-5-en-2-yl-1-(3-morpholino-5-nitro-1-benzofuran-2-yl)-2-propanol

IUPAC name

2-{bicyclo[2.2.1]hept-5-en-2-yl}-1-[3-(morpholin-4-yl)-5-nitro-1-benzofuran-2-yl]propan-2-ol

SMILES

CC(Cc(oc(cc1)c2cc1[N+]([O-])=O)c2N1CCOCC1)(C(C1)C2C=CC1C2)O

InChI

InChI=1S/C22H26N2O5/c1-22(25,18-11-14-2-3-15(18)10-14)13-20-21(23-6-8-28-9-7-23)17-12-16(24(26)27)4-5-19(17)29-20/h2-5,12,14-15,18,25H,6-11,13H2,1H3

InChI Key

HFZJXUAWTSUNJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.29

Polar Surface Area

68.510

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

54.54

8009-8284 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-8284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8284?
Check Price and Availability of 8009-8284, 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 8009-8284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8284
  • 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 8009-8284 available by request