V012-9216 Screening compound: 2-{[4-(butan-2-yl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamoyl}phenyl acetate

V012-9216 Screening compound: 2-{[4-(butan-2-yl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamoyl}phenyl acetate
V012-9216 Screening compound: 2-{[4-(butan-2-yl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamoyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9216
2-{[4-(butan-2-yl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamoyl}phenyl acetate

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

V012-9216

Molecular Formula

C23H26N2O5 (C23 H26 N2 O5)

Compound Name

2-{[4-(butan-2-yl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]carbamoyl}phenyl acetate

IUPAC name

2-{[4-(butan-2-yl)-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl]carbamoyl}phenyl acetate

SMILES

CCC(C)N(Cc(cc(cc1)NC(c(cccc2)c2OC(C)=O)=O)c1OC1C)C1=O

InChI

InChI=1S/C23H26N2O5/c1-5-14(2)25-13-17-12-18(10-11-20(17)29-15(3)23(25)28)24-22(27)19-8-6-7-9-21(19)30-16(4)26/h6-12,14-15H,5,13H2,1-4H3,(H,24,27)

InChI Key

STVNRGYRAJWOAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.384

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.84

Polar Surface Area

68.252

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.78

V012-9216 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 V012-9216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9216?
Check Price and Availability of V012-9216, 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 V012-9216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9216
  • 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 V012-9216 available by request