V018-3212 Screening compound: 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(propan-2-yl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V018-3212 Screening compound: 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(propan-2-yl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V018-3212 Screening compound: 8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(propan-2-yl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3212
8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(propan-2-yl)-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

V018-3212

Molecular Formula

C26H30FN3O4 (C26 H30 FN3 O4)

Compound Name

8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(propan-2-yl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(propan-2-yl)-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

CC(C)NC(C(COC1(CC2)CCN2C(c(cccc2)c2F)=O)N1C(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C26H30FN3O4/c1-17(2)28-23(31)22-16-34-26(30(22)24(32)19-10-8-18(3)9-11-19)12-14-29(15-13-26)25(33)20-6-4-5-7-21(20)27/h4-11,17,22H,12-16H2,1-3H3,(H,28,31)/t22-/m1/s1

InChI Key

RLWMOHGZAIHJAL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19810651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.54

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

2.743

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.33

Polar Surface Area

63.241

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V018-3212 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 V018-3212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3212?
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What is the minimum amount of V018-3212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3212
  • 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 V018-3212 available by request