V005-8251 Screening compound: 11-{4-[(4-CHLOROPHENYL)SULFONYL]PIPERAZINO}-3-METHOXY-7-METHYLDIBENZO[B,F][1,4]OXAZEPINE

V005-8251 Screening compound: 11-{4-[(4-CHLOROPHENYL)SULFONYL]PIPERAZINO}-3-METHOXY-7-METHYLDIBENZO[B,F][1,4]OXAZEPINE
V005-8251 Screening compound: 11-{4-[(4-CHLOROPHENYL)SULFONYL]PIPERAZINO}-3-METHOXY-7-METHYLDIBENZO[B,F][1,4]OXAZEPINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8251
11-{4-[(4-CHLOROPHENYL)SULFONYL]PIPERAZINO}-3-METHOXY-7-METHYLDIBENZO[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

V005-8251

Molecular Formula

C25H24ClN3O4S (C25 H24 ClN3 O4 S)

Compound Name

11-{4-[(4-CHLOROPHENYL)SULFONYL]PIPERAZINO}-3-METHOXY-7-METHYLDIBENZO[B,F][1,4]OXAZEPINE

IUPAC name

n/a

SMILES

Cc(cc1)cc(Oc2c3ccc(OC)c2)c1N=C3N(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C25H24ClN3O4S/c1-17-3-10-22-24(15-17)33-23-16-19(32-2)6-9-21(23)25(27-22)28-11-13-29(14-12-28)34(30,31)20-7-4-18(26)5-8-20/h3-10,15-16H,11-14H2,1-2H3

InChI Key

XNJHCFFMBXWAEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284251

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.105

Distribution Coefficient, logD

3.915

Water Solubility, LogSw

-5.31

Polar Surface Area

57.324

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V005-8251 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V005-8251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8251?
Check Price and Availability of V005-8251, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V005-8251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8251
  • 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 V005-8251 available by request