V021-6898 Screening compound: 11-{4-[(3-fluoro-4-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine

V021-6898 Screening compound: 11-{4-[(3-fluoro-4-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine
V021-6898 Screening compound: 11-{4-[(3-fluoro-4-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-2-methoxy-8-(trifluoromethyl)dibenzo[b,f][1,4]oxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6898
11-{4-[(3-fluoro-4-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-2-methoxy-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

V021-6898

Molecular Formula

C27H25F4N3O4S (C27 H25 F4 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(S(N(CCC1)CCN1C1=Nc(cc(C(F)(F)F)cc2)c2Oc(cc2)c1cc2OC)(=O)=O)c1)c1F

InChI

InChI=1S/C27H25F4N3O4S/c1-17-4-7-20(16-22(17)28)39(35,36)34-11-3-10-33(12-13-34)26-21-15-19(37-2)6-9-24(21)38-25-8-5-18(27(29,30)31)14-23(25)32-26/h4-9,14-16H,3,10-13H2,1-2H3

InChI Key

CDCVMSGIIKFXAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284323

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

563.57

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

5.767

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-5.68

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

V021-6898 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V021-6898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6898?
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What is the minimum amount of V021-6898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6898
  • 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 V021-6898 available by request