V010-5888 Screening compound: N-[4-(butan-2-yl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide

V010-5888 Screening compound: N-[4-(butan-2-yl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
V010-5888 Screening compound: N-[4-(butan-2-yl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5888
N-[4-(butan-2-yl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide

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

V010-5888

Molecular Formula

C21H23N3O5 (C21 H23 N3 O5)

Compound Name

N-[4-(butan-2-yl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide

IUPAC name

N-[4-(butan-2-yl)-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl]-4-nitrobenzamide

SMILES

CCC(C)N(Cc(cc(cc1)NC(c(cc2)ccc2[N+]([O-])=O)=O)c1OC1C)C1=O

InChI

InChI=1S/C21H23N3O5/c1-4-13(2)23-12-16-11-17(7-10-19(16)29-14(3)21(23)26)22-20(25)15-5-8-18(9-6-15)24(27)28/h5-11,13-14H,4,12H2,1-3H3,(H,22,25)

InChI Key

JSLWMCBFMBLVEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19849128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.776

Distribution Coefficient, logD

3.776

Water Solubility, LogSw

-4.07

Polar Surface Area

80.796

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

V010-5888 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V010-5888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5888?
Check Price and Availability of V010-5888, 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 V010-5888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5888
  • 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 V010-5888 available by request