V020-6331 Screening compound: 2-methyl-11-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]dibenzo[b,f][1,4]oxazepine

V020-6331 Screening compound: 2-methyl-11-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]dibenzo[b,f][1,4]oxazepine
V020-6331 Screening compound: 2-methyl-11-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]dibenzo[b,f][1,4]oxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-6331
2-methyl-11-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]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

V020-6331

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

2-methyl-11-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]dibenzo[b,f][1,4]oxazepine

IUPAC name

10-[4-(benzenesulfonyl)-14-diazepan-1-yl]-13-methyl-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

Cc(cc1)cc2c1Oc(cccc1)c1N=C2N(CCC1)CCN1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C25H25N3O3S/c1-19-12-13-23-21(18-19)25(26-22-10-5-6-11-24(22)31-23)27-14-7-15-28(17-16-27)32(29,30)20-8-3-2-4-9-20/h2-6,8-13,18H,7,14-17H2,1H3

InChI Key

ZXNJHWXXDZGBCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284400

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-4.42

Polar Surface Area

50.112

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V020-6331 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 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
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V020-6331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-6331?
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What is the minimum amount of V020-6331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-6331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-6331
  • 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 V020-6331 available by request