V020-7305 Screening compound: 1-(4-dibenzo[b,f][1,4]oxazepin-11-yl-1,4-diazepan-1-yl)-2-phenyl-1-butanone

V020-7305 Screening compound: 1-(4-dibenzo[b,f][1,4]oxazepin-11-yl-1,4-diazepan-1-yl)-2-phenyl-1-butanone
V020-7305 Screening compound: 1-(4-dibenzo[b,f][1,4]oxazepin-11-yl-1,4-diazepan-1-yl)-2-phenyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-7305
1-(4-dibenzo[b,f][1,4]oxazepin-11-yl-1,4-diazepan-1-yl)-2-phenyl-1-butanone

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

V020-7305

Molecular Formula

C28H29N3O2 (C28 H29 N3 O2)

Compound Name

1-(4-dibenzo[b,f][1,4]oxazepin-11-yl-1,4-diazepan-1-yl)-2-phenyl-1-butanone

IUPAC name

1-(4-{2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl}-14-diazepan-1-yl)-2-phenylbutan-1-one

SMILES

CCC(C(N(CCC1)CCN1C1=Nc(cccc2)c2Oc2c1cccc2)=O)c1ccccc1

InChI

InChI=1S/C28H29N3O2/c1-2-22(21-11-4-3-5-12-21)28(32)31-18-10-17-30(19-20-31)27-23-13-6-8-15-25(23)33-26-16-9-7-14-24(26)29-27/h3-9,11-16,22H,2,10,17-20H2,1H3/t22-/m1/s1

InChI Key

DFOCDBKRVBIAGO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14282709

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.105

Distribution Coefficient, logD

4.442

Water Solubility, LogSw

-4.95

Polar Surface Area

35.049

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V020-7305 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-7305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-7305?
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What is the minimum amount of V020-7305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-7305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-7305
  • 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 V020-7305 available by request