V021-6922 Screening compound: 2-methoxy-11-{4-[(3-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine

V021-6922 Screening compound: 2-methoxy-11-{4-[(3-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
V021-6922 Screening compound: 2-methoxy-11-{4-[(3-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6922
2-methoxy-11-{4-[(3-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-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

V021-6922

Molecular Formula

C27H26F3N3O4S (C27 H26 F3 N3 O4 S)

Compound Name

2-methoxy-11-{4-[(3-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine

IUPAC name

13-methoxy-10-[4-(3-methylbenzenesulfonyl)-14-diazepan-1-yl]-6-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

Cc1cccc(S(N(CCC2)CCN2C2=Nc(cc(C(F)(F)F)cc3)c3Oc(cc3)c2cc3OC)(=O)=O)c1

InChI

InChI=1S/C27H26F3N3O4S/c1-18-5-3-6-21(15-18)38(34,35)33-12-4-11-32(13-14-33)26-22-17-20(36-2)8-10-24(22)37-25-9-7-19(27(28,29)30)16-23(25)31-26/h3,5-10,15-17H,4,11-14H2,1-2H3

InChI Key

UDRRRNFHSWMTEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284321

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.58

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

5.536

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-5.57

Polar Surface Area

57.656

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V021-6922 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V021-6922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6922?
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What is the minimum amount of V021-6922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6922
  • 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 V021-6922 available by request