V026-8950 Screening compound: N-(3-methylbutyl)-5-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide

V026-8950 Screening compound: N-(3-methylbutyl)-5-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
V026-8950 Screening compound: N-(3-methylbutyl)-5-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-8950
N-(3-methylbutyl)-5-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)methyl]furan-2-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

V026-8950

Molecular Formula

C19H22N2O4 (C19 H22 N2 O4)

Compound Name

N-(3-methylbutyl)-5-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide

IUPAC name

N-(3-methylbutyl)-5-[(3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)methyl]furan-2-carboxamide

SMILES

CC(C)CCNC(c1ccc(CN2c(cccc3)c3OCC2=O)o1)=O

InChI

InChI=1S/C19H22N2O4/c1-13(2)9-10-20-19(23)17-8-7-14(25-17)11-21-15-5-3-4-6-16(15)24-12-18(21)22/h3-8,13H,9-12H2,1-2H3,(H,20,23)

InChI Key

GPRSHFBFGMCGNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10452306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.751

Distribution Coefficient, logD

2.751

Water Solubility, LogSw

-3.29

Polar Surface Area

56.436

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

V026-8950 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V026-8950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-8950?
Check Price and Availability of V026-8950, 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 V026-8950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-8950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-8950
  • 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 V026-8950 available by request