V028-0272 Screening compound: 8-(3,4-dichlorobenzoyl)-4-(3-methoxybenzoyl)-3-(morpholine-4-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

V028-0272 Screening compound: 8-(3,4-dichlorobenzoyl)-4-(3-methoxybenzoyl)-3-(morpholine-4-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
V028-0272 Screening compound: 8-(3,4-dichlorobenzoyl)-4-(3-methoxybenzoyl)-3-(morpholine-4-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0272
8-(3,4-dichlorobenzoyl)-4-(3-methoxybenzoyl)-3-(morpholine-4-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

V028-0272

Molecular Formula

C27H29Cl2N3O6 (C27 H29 Cl2 N3 O6)

Compound Name

8-(3,4-dichlorobenzoyl)-4-(3-methoxybenzoyl)-3-(morpholine-4-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

IUPAC name

8-(34-dichlorobenzoyl)-4-(3-methoxybenzoyl)-3-(morpholine-4-carbonyl)-1-oxa-48-diazaspiro[4.5]decane

SMILES

COc1cccc(C(N2C(CC3)(CCN3C(c(cc3)cc(Cl)c3Cl)=O)OCC2C(N2CCOCC2)=O)=O)c1

InChI

InChI=1S/C27H29Cl2N3O6/c1-36-20-4-2-3-18(15-20)25(34)32-23(26(35)31-11-13-37-14-12-31)17-38-27(32)7-9-30(10-8-27)24(33)19-5-6-21(28)22(29)16-19/h2-6,15-16,23H,7-14,17H2,1H3/t23-/m1/s1

InChI Key

YFBVUFNKXZTBCR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19811999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.45

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

2.492

Distribution Coefficient, logD

2.492

Water Solubility, LogSw

-3.28

Polar Surface Area

71.683

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V028-0272 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V028-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0272?
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What is the minimum amount of V028-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0272
  • 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 V028-0272 available by request