V010-9949 Screening compound: 8-(2-CHLOROBENZOYL)-N-CYCLOPROPYL-4-(3-FLUOROBENZOYL)-1-OXA-4,8-DIAZASPIRO[4.5]DECANE-3-CARBOXAMIDE

V010-9949 Screening compound: 8-(2-CHLOROBENZOYL)-N-CYCLOPROPYL-4-(3-FLUOROBENZOYL)-1-OXA-4,8-DIAZASPIRO[4.5]DECANE-3-CARBOXAMIDE
V010-9949 Screening compound: 8-(2-CHLOROBENZOYL)-N-CYCLOPROPYL-4-(3-FLUOROBENZOYL)-1-OXA-4,8-DIAZASPIRO[4.5]DECANE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9949
8-(2-CHLOROBENZOYL)-N-CYCLOPROPYL-4-(3-FLUOROBENZOYL)-1-OXA-4,8-DIAZASPIRO[4.5]DECANE-3-CARBOXAMIDE

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

V010-9949

Molecular Formula

C25H25ClFN3O4 (C25 H25 ClFN3 O4)

Compound Name

8-(2-CHLOROBENZOYL)-N-CYCLOPROPYL-4-(3-FLUOROBENZOYL)-1-OXA-4,8-DIAZASPIRO[4.5]DECANE-3-CARBOXAMIDE

IUPAC name

8-(2-chlorobenzoyl)-N-cyclopropyl-4-(3-fluorobenzoyl)-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

O=C(C(COC1(CC2)CCN2C(c(cccc2)c2Cl)=O)N1C(c1cc(F)ccc1)=O)NC1CC1

InChI

InChI=1S/C25H25ClFN3O4/c26-20-7-2-1-6-19(20)24(33)29-12-10-25(11-13-29)30(23(32)16-4-3-5-17(27)14-16)21(15-34-25)22(31)28-18-8-9-18/h1-7,14,18,21H,8-13,15H2,(H,28,31)/t21-/m1/s1

InChI Key

JTACSCZBQLYEPX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19811919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.395

Distribution Coefficient, logD

2.395

Water Solubility, LogSw

-3.64

Polar Surface Area

64.052

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V010-9949 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V010-9949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9949?
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What is the minimum amount of V010-9949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9949
  • 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 V010-9949 available by request