V028-9959 Screening compound: 4-benzoyl-8-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

V028-9959 Screening compound: 4-benzoyl-8-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
V028-9959 Screening compound: 4-benzoyl-8-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9959
4-benzoyl-8-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[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

V028-9959

Molecular Formula

C27H31N3O4 (C27 H31 N3 O4)

Compound Name

4-benzoyl-8-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

IUPAC name

4-benzoyl-8-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-48-diazaspiro[4.5]decane

SMILES

Cc(cccc1)c1C(N(CC1)CCC11OCC(C(N2CCCC2)=O)N1C(c1ccccc1)=O)=O

InChI

InChI=1S/C27H31N3O4/c1-20-9-5-6-12-22(20)25(32)29-17-13-27(14-18-29)30(24(31)21-10-3-2-4-11-21)23(19-34-27)26(33)28-15-7-8-16-28/h2-6,9-12,23H,7-8,13-19H2,1H3/t23-/m1/s1

InChI Key

VFXWNMCCEFXEBV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19774194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.542

Distribution Coefficient, logD

2.542

Water Solubility, LogSw

-2.79

Polar Surface Area

56.596

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

References: we are preparing a list of scientific research reports with V028-9959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9959?
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What is the minimum amount of V028-9959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9959
  • 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 V028-9959 available by request