V021-6897 Screening compound: 2-methoxy-11-{4-[(2-methylphenyl)sulfonyl]piperazino}-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine

V021-6897 Screening compound: 2-methoxy-11-{4-[(2-methylphenyl)sulfonyl]piperazino}-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
V021-6897 Screening compound: 2-methoxy-11-{4-[(2-methylphenyl)sulfonyl]piperazino}-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6897
2-methoxy-11-{4-[(2-methylphenyl)sulfonyl]piperazino}-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine

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

V021-6897

Molecular Formula

C26H24F3N3O4S (C26 H24 F3 N3 O4 S)

Compound Name

2-methoxy-11-{4-[(2-methylphenyl)sulfonyl]piperazino}-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine

IUPAC name

13-methoxy-10-[4-(2-methylbenzenesulfonyl)piperazin-1-yl]-6-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

Cc(cccc1)c1S(N(CC1)CCN1C1=Nc(cc(C(F)(F)F)cc2)c2Oc(cc2)c1cc2OC)(=O)=O

InChI

InChI=1S/C26H24F3N3O4S/c1-17-5-3-4-6-24(17)37(33,34)32-13-11-31(12-14-32)25-20-16-19(35-2)8-10-22(20)36-23-9-7-18(26(27,28)29)15-21(23)30-25/h3-10,15-16H,11-14H2,1-2H3

InChI Key

IGZVRHDQSMZZFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284310

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-4.69

Polar Surface Area

57.324

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V021-6897 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V021-6897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6897?
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What is the minimum amount of V021-6897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6897
  • 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 V021-6897 available by request