V021-8129 Screening compound: N-(4-BENZYL-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL)-3,3-DIMETHYLBUTANAMIDE

V021-8129 Screening compound: N-(4-BENZYL-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL)-3,3-DIMETHYLBUTANAMIDE
V021-8129 Screening compound: N-(4-BENZYL-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL)-3,3-DIMETHYLBUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8129
N-(4-BENZYL-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL)-3,3-DIMETHYLBUTANAMIDE

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

V021-8129

Molecular Formula

C23H28N2O3 (C23 H28 N2 O3)

Compound Name

N-(4-BENZYL-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL)-3,3-DIMETHYLBUTANAMIDE

IUPAC name

N-(4-benzyl-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl)-33-dimethylbutanamide

SMILES

CC(C(N(Cc1ccccc1)C1)=O)Oc(cc2)c1cc2NC(CC(C)(C)C)=O

InChI

InChI=1S/C23H28N2O3/c1-16-22(27)25(14-17-8-6-5-7-9-17)15-18-12-19(10-11-20(18)28-16)24-21(26)13-23(2,3)4/h5-12,16H,13-15H2,1-4H3,(H,24,26)/t16-/m0/s1

InChI Key

WMHSTTSHZDQVBX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19978759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-4.31

Polar Surface Area

47.730

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

V021-8129 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 V021-8129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8129?
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What is the minimum amount of V021-8129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8129
  • 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 V021-8129 available by request