V003-3713 Screening compound: 1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)-1-ethanone

V003-3713 Screening compound: 1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)-1-ethanone
V003-3713 Screening compound: 1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3713
1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)-1-ethanone

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

V003-3713

Molecular Formula

C29H31N3O4 (C29 H31 N3 O4)

Compound Name

1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)-1-ethanone

IUPAC name

1-(4-{14-methoxy-5-methyl-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl}-14-diazepan-1-yl)-2-(4-methoxyphenyl)ethan-1-one

SMILES

Cc(cc1)cc(Oc2c3ccc(OC)c2)c1N=C3N(CCC1)CCN1C(Cc(cc1)ccc1OC)=O

InChI

InChI=1S/C29H31N3O4/c1-20-5-12-25-27(17-20)36-26-19-23(35-3)10-11-24(26)29(30-25)32-14-4-13-31(15-16-32)28(33)18-21-6-8-22(34-2)9-7-21/h5-12,17,19H,4,13-16,18H2,1-3H3

InChI Key

ZDQYMWBBEKCJQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283052

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.58

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

4.769

Distribution Coefficient, logD

3.780

Water Solubility, LogSw

-4.61

Polar Surface Area

49.609

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

8.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.03

V003-3713 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V003-3713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3713?
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What is the minimum amount of V003-3713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3713
  • 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 V003-3713 available by request