V018-3638 Screening compound: N~1~-[11-(4-isopropylpiperazino)dibenzo[b,f][1,4]oxazepin-2-yl]-2-phenoxyacetamide

V018-3638 Screening compound: N~1~-[11-(4-isopropylpiperazino)dibenzo[b,f][1,4]oxazepin-2-yl]-2-phenoxyacetamide
V018-3638 Screening compound: N~1~-[11-(4-isopropylpiperazino)dibenzo[b,f][1,4]oxazepin-2-yl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3638
N~1~-[11-(4-isopropylpiperazino)dibenzo[b,f][1,4]oxazepin-2-yl]-2-phenoxyacetamide

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

V018-3638

Molecular Formula

C28H30N4O3 (C28 H30 N4 O3)

Compound Name

N~1~-[11-(4-isopropylpiperazino)dibenzo[b,f][1,4]oxazepin-2-yl]-2-phenoxyacetamide

IUPAC name

2-phenoxy-N-{10-[4-(propan-2-yl)piperazin-1-yl]-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-13-yl}acetamide

SMILES

CC(C)N(CC1)CCN1C1=Nc(cccc2)c2Oc(cc2)c1cc2NC(COc1ccccc1)=O

InChI

InChI=1S/C28H30N4O3/c1-20(2)31-14-16-32(17-15-31)28-23-18-21(29-27(33)19-34-22-8-4-3-5-9-22)12-13-25(23)35-26-11-7-6-10-24(26)30-28/h3-13,18,20H,14-17,19H2,1-2H3,(H,29,33)

InChI Key

PCZLUUNJYLTAPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14265785

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.630

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.39

Polar Surface Area

52.503

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V018-3638 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V018-3638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3638?
Check Price and Availability of V018-3638, 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 V018-3638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3638
  • 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 V018-3638 available by request