V007-2221 Screening compound: 4-(3-fluorobenzoyl)-8-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

V007-2221 Screening compound: 4-(3-fluorobenzoyl)-8-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
V007-2221 Screening compound: 4-(3-fluorobenzoyl)-8-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-2221
4-(3-fluorobenzoyl)-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

V007-2221

Molecular Formula

C27H30FN3O4 (C27 H30 FN3 O4)

Compound Name

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

IUPAC name

4-(3-fluorobenzoyl)-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(c1cccc(F)c1)=O)=O

InChI

InChI=1S/C27H30FN3O4/c1-19-7-2-3-10-22(19)25(33)30-15-11-27(12-16-30)31(24(32)20-8-6-9-21(28)17-20)23(18-35-27)26(34)29-13-4-5-14-29/h2-3,6-10,17,23H,4-5,11-16,18H2,1H3/t23-/m0/s1

InChI Key

LCJNPZDJIZTHJN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19978292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.55

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

2.686

Distribution Coefficient, logD

2.686

Water Solubility, LogSw

-3.03

Polar Surface Area

56.596

Acid Dissociation Constant (pKa)

19.90

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V007-2221 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V007-2221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-2221?
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What is the minimum amount of V007-2221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-2221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-2221
  • 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 V007-2221 available by request