V028-6976 Screening compound: 4-(2-chlorobenzoyl)-8-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decane

V028-6976 Screening compound: 4-(2-chlorobenzoyl)-8-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decane
V028-6976 Screening compound: 4-(2-chlorobenzoyl)-8-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6976
4-(2-chlorobenzoyl)-8-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decane

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

V028-6976

Molecular Formula

C21H27ClN2O3 (C21 H27 ClN2 O3)

Compound Name

4-(2-chlorobenzoyl)-8-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decane

IUPAC name

4-(2-chlorobenzoyl)-8-methyl-3-(pyrrolidine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decane

SMILES

CC(CC1)CCC11OCC(C(N2CCCC2)=O)N1C(c(cccc1)c1Cl)=O

InChI

InChI=1S/C21H27ClN2O3/c1-15-8-10-21(11-9-15)24(19(25)16-6-2-3-7-17(16)22)18(14-27-21)20(26)23-12-4-5-13-23/h2-3,6-7,15,18H,4-5,8-14H2,1H3/t15?,18-,21?/m0/s1

InChI Key

ZJYRVOUSZRDKNP-GFBDMGBSSA-N

MDL Number (MFCD)

MFCD19805935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-4.21

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

20.05

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

V028-6976 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V028-6976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6976?
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What is the minimum amount of V028-6976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6976
  • 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 V028-6976 available by request