V005-5656 Screening compound: benzyl 4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carboxylate

V005-5656 Screening compound: benzyl 4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carboxylate
V005-5656 Screening compound: benzyl 4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-5656
benzyl 4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carboxylate

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

V005-5656

Molecular Formula

C28H29N3O4 (C28 H29 N3 O4)

Compound Name

benzyl 4-(2-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepane-1-carboxylate

IUPAC name

benzyl 4-{13-methoxy-5-methyl-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl}-14-diazepane-1-carboxylate

SMILES

Cc(cc1)cc(Oc(cc2)c3cc2OC)c1N=C3N(CCC1)CCN1C(OCc1ccccc1)=O

InChI

InChI=1S/C28H29N3O4/c1-20-9-11-24-26(17-20)35-25-12-10-22(33-2)18-23(25)27(29-24)30-13-6-14-31(16-15-30)28(32)34-19-21-7-4-3-5-8-21/h3-5,7-12,17-18H,6,13-16,19H2,1-2H3

InChI Key

DJOQNSXJXNFTDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283339

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.644

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-5.51

Polar Surface Area

49.021

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V005-5656 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 V005-5656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-5656?
Check Price and Availability of V005-5656, 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 V005-5656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-5656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-5656
  • 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 V005-5656 available by request