V004-3162 Screening compound: 11-{4-[(4-fluorophenyl)sulfonyl]-1,4-diazepan-1-yl}-2-methoxy-7-methyldibenzo[b,f][1,4]oxazepine

V004-3162 Screening compound: 11-{4-[(4-fluorophenyl)sulfonyl]-1,4-diazepan-1-yl}-2-methoxy-7-methyldibenzo[b,f][1,4]oxazepine
V004-3162 Screening compound: 11-{4-[(4-fluorophenyl)sulfonyl]-1,4-diazepan-1-yl}-2-methoxy-7-methyldibenzo[b,f][1,4]oxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3162
11-{4-[(4-fluorophenyl)sulfonyl]-1,4-diazepan-1-yl}-2-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

V004-3162

Molecular Formula

C26H26FN3O4S (C26 H26 FN3 O4 S)

Compound Name

11-{4-[(4-fluorophenyl)sulfonyl]-1,4-diazepan-1-yl}-2-methoxy-7-methyldibenzo[b,f][1,4]oxazepine

IUPAC name

10-[4-(4-fluorobenzenesulfonyl)-14-diazepan-1-yl]-13-methoxy-5-methyl-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

Cc(cc1)cc(Oc(cc2)c3cc2OC)c1N=C3N(CCC1)CCN1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C26H26FN3O4S/c1-18-4-10-23-25(16-18)34-24-11-7-20(33-2)17-22(24)26(28-23)29-12-3-13-30(15-14-29)35(31,32)21-8-5-19(27)6-9-21/h4-11,16-17H,3,12-15H2,1-2H3

InChI Key

NTDUFPXFMNSJCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284341

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.57

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

4.814

Distribution Coefficient, logD

2.468

Water Solubility, LogSw

-4.74

Polar Surface Area

57.656

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

9.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V004-3162 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 V004-3162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3162?
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What is the minimum amount of V004-3162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3162
  • 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 V004-3162 available by request