V008-3102 Screening compound: 4-tert-butyl-N-{4-[6-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyridin-2-yl]phenyl}benzamide

V008-3102 Screening compound: 4-tert-butyl-N-{4-[6-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyridin-2-yl]phenyl}benzamide
V008-3102 Screening compound: 4-tert-butyl-N-{4-[6-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyridin-2-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3102
4-tert-butyl-N-{4-[6-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyridin-2-yl]phenyl}benzamide

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

V008-3102

Molecular Formula

C30H27N3O3 (C30 H27 N3 O3)

Compound Name

4-tert-butyl-N-{4-[6-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyridin-2-yl]phenyl}benzamide

IUPAC name

4-tert-butyl-N-{4-[6-(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)pyridin-2-yl]phenyl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)ccc1-c1cccc(-c(cc2)cc(N3)c2OCC3=O)n1)=O

InChI

InChI=1S/C30H27N3O3/c1-30(2,3)22-12-7-20(8-13-22)29(35)31-23-14-9-19(10-15-23)24-5-4-6-25(32-24)21-11-16-27-26(17-21)33-28(34)18-36-27/h4-17H,18H2,1-3H3,(H,31,35)(H,33,34)

InChI Key

WOLKAQZVHDGAMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949734

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.701

Distribution Coefficient, logD

6.699

Water Solubility, LogSw

-5.66

Polar Surface Area

64.672

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V008-3102 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with V008-3102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3102?
Check Price and Availability of V008-3102, 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 V008-3102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3102
  • 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 V008-3102 available by request