V002-5266 Screening compound: 1-{4-[8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperazin-1-yl}ethan-1-one

V002-5266 Screening compound: 1-{4-[8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperazin-1-yl}ethan-1-one
V002-5266 Screening compound: 1-{4-[8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5266
1-{4-[8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[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

V002-5266

Molecular Formula

C28H30ClFN4O5 (C28 H30 ClFN4 O5)

Compound Name

1-{4-[8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperazin-1-yl}ethan-1-one

IUPAC name

1-{4-[8-(3-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-48-diazaspiro[4.5]decane-3-carbonyl]piperazin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCN1C(C(COC1(CC2)CCN2C(c2cccc(Cl)c2)=O)N1C(c(cc1)ccc1F)=O)=O)=O

InChI

InChI=1S/C28H30ClFN4O5/c1-19(35)31-13-15-33(16-14-31)27(38)24-18-39-28(34(24)26(37)20-5-7-23(30)8-6-20)9-11-32(12-10-28)25(36)21-3-2-4-22(29)17-21/h2-8,17,24H,9-16,18H2,1H3/t24-/m1/s1

InChI Key

KVIJVMLOEIYGKZ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19806377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.722

Distribution Coefficient, logD

1.722

Water Solubility, LogSw

-2.65

Polar Surface Area

73.426

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V002-5266 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CNS MPO Library (28609 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V002-5266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5266?
Check Price and Availability of V002-5266, 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 V002-5266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5266
  • 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 V002-5266 available by request