V003-7586 Screening compound: N-({[(furan-2-yl)methyl][(oxolan-2-yl)methyl]carbamoyl}methyl)-3,5,5-trimethyl-N-propylhexanamide

V003-7586 Screening compound: N-({[(furan-2-yl)methyl][(oxolan-2-yl)methyl]carbamoyl}methyl)-3,5,5-trimethyl-N-propylhexanamide
V003-7586 Screening compound: N-({[(furan-2-yl)methyl][(oxolan-2-yl)methyl]carbamoyl}methyl)-3,5,5-trimethyl-N-propylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7586
N-({[(furan-2-yl)methyl][(oxolan-2-yl)methyl]carbamoyl}methyl)-3,5,5-trimethyl-N-propylhexanamide

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

V003-7586

Molecular Formula

C24H40N2O4 (C24 H40 N2 O4)

Compound Name

N-({[(furan-2-yl)methyl][(oxolan-2-yl)methyl]carbamoyl}methyl)-3,5,5-trimethyl-N-propylhexanamide

IUPAC name

N-({[(furan-2-yl)methyl][(oxolan-2-yl)methyl]carbamoyl}methyl)-355-trimethyl-N-propylhexanamide

SMILES

CCCN(CC(N(CC1OCCC1)Cc1ccco1)=O)C(CC(C)CC(C)(C)C)=O

InChI

InChI=1S/C24H40N2O4/c1-6-11-25(22(27)14-19(2)15-24(3,4)5)18-23(28)26(16-20-9-7-12-29-20)17-21-10-8-13-30-21/h7,9,12,19,21H,6,8,10-11,13-18H2,1-5H3

InChI Key

LBCLIWRTWSSUFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19745746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.909

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-3.74

Polar Surface Area

48.259

Acid Dissociation Constant (pKa)

24.01

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

V003-7586 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 V003-7586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7586?
Check Price and Availability of V003-7586, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-7586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7586
  • 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 V003-7586 available by request