V028-6012 Screening compound: 3-furyl(2-{[4-(2-naphthylcarbonyl)-1,4-diazepan-1-yl]methyl}morpholino)methanone

V028-6012 Screening compound: 3-furyl(2-{[4-(2-naphthylcarbonyl)-1,4-diazepan-1-yl]methyl}morpholino)methanone
V028-6012 Screening compound: 3-furyl(2-{[4-(2-naphthylcarbonyl)-1,4-diazepan-1-yl]methyl}morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6012
3-furyl(2-{[4-(2-naphthylcarbonyl)-1,4-diazepan-1-yl]methyl}morpholino)methanone

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

V028-6012

Molecular Formula

C26H29N3O4 (C26 H29 N3 O4)

Compound Name

3-furyl(2-{[4-(2-naphthylcarbonyl)-1,4-diazepan-1-yl]methyl}morpholino)methanone

IUPAC name

1-{[4-(furan-3-carbonyl)morpholin-2-yl]methyl}-4-(naphthalene-2-carbonyl)-14-diazepane

SMILES

O=C(c1cocc1)N1CC(CN(CCC2)CCN2C(c2cc3ccccc3cc2)=O)OCC1

InChI

InChI=1S/C26H29N3O4/c30-25(22-7-6-20-4-1-2-5-21(20)16-22)28-10-3-9-27(11-12-28)17-24-18-29(13-15-33-24)26(31)23-8-14-32-19-23/h1-2,4-8,14,16,19,24H,3,9-13,15,17-18H2

InChI Key

VCIHRYSWFFOEIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19918826

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.53

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

2.299

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-2.91

Polar Surface Area

52.968

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

V028-6012 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 V028-6012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6012?
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What is the minimum amount of V028-6012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6012
  • 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 V028-6012 available by request