V003-3727 Screening compound: (2,6-difluorophenyl)[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]methanone

V003-3727 Screening compound: (2,6-difluorophenyl)[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]methanone
V003-3727 Screening compound: (2,6-difluorophenyl)[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3727
(2,6-difluorophenyl)[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]methanone

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

V003-3727

Molecular Formula

C26H23F2N3O3 (C26 H23 F2 N3 O3)

Compound Name

(2,6-difluorophenyl)[4-(4-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]methanone

IUPAC name

10-[4-(26-difluorobenzoyl)-14-diazepan-1-yl]-15-methoxy-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaene

SMILES

COc1cccc2c1Oc(cccc1)c1N=C2N(CCC1)CCN1C(c(c(F)ccc1)c1F)=O

InChI

InChI=1S/C26H23F2N3O3/c1-33-22-12-4-7-17-24(22)34-21-11-3-2-10-20(21)29-25(17)30-13-6-14-31(16-15-30)26(32)23-18(27)8-5-9-19(23)28/h2-5,7-12H,6,13-16H2,1H3

InChI Key

WMLMHSBKZPANIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14283434

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

2.896

Water Solubility, LogSw

-4.50

Polar Surface Area

42.364

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V003-3727 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 V003-3727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3727?
Check Price and Availability of V003-3727, 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 V003-3727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3727
  • 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 V003-3727 available by request