V006-6336 Screening compound: 1-{4-[4-(3-nitrobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl}ethan-1-one

V006-6336 Screening compound: 1-{4-[4-(3-nitrobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl}ethan-1-one
V006-6336 Screening compound: 1-{4-[4-(3-nitrobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6336
1-{4-[4-(3-nitrobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl}ethan-1-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

V006-6336

Molecular Formula

C22H28N4O6 (C22 H28 N4 O6)

Compound Name

1-{4-[4-(3-nitrobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl}ethan-1-one

IUPAC name

1-{4-[4-(3-nitrobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCN1C(C(COC12CCCCC2)N1C(c1cccc([N+]([O-])=O)c1)=O)=O)=O

InChI

InChI=1S/C22H28N4O6/c1-16(27)23-10-12-24(13-11-23)21(29)19-15-32-22(8-3-2-4-9-22)25(19)20(28)17-6-5-7-18(14-17)26(30)31/h5-7,14,19H,2-4,8-13,15H2,1H3/t19-/m0/s1

InChI Key

GZATXBHDDDEQMX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19805490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.478

Distribution Coefficient, logD

1.478

Water Solubility, LogSw

-1.98

Polar Surface Area

90.351

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

V006-6336 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V006-6336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6336?
Check Price and Availability of V006-6336, 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 V006-6336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6336
  • 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 V006-6336 available by request