V012-0594 Screening compound: 3-methoxy-N-{6-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide

V012-0594 Screening compound: 3-methoxy-N-{6-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide
V012-0594 Screening compound: 3-methoxy-N-{6-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0594
3-methoxy-N-{6-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide

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

V012-0594

Molecular Formula

C26H28N4O4 (C26 H28 N4 O4)

Compound Name

3-methoxy-N-{6-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide

IUPAC name

3-methoxy-N-{6-[4-(2-phenoxyacetyl)-14-diazepan-1-yl]pyridin-3-yl}benzamide

SMILES

COc1cccc(C(Nc(cc2)cnc2N(CCC2)CCN2C(COc2ccccc2)=O)=O)c1

InChI

InChI=1S/C26H28N4O4/c1-33-23-10-5-7-20(17-23)26(32)28-21-11-12-24(27-18-21)29-13-6-14-30(16-15-29)25(31)19-34-22-8-3-2-4-9-22/h2-5,7-12,17-18H,6,13-16,19H2,1H3,(H,28,32)

InChI Key

INJOSQDMSUVEQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27626558

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.754

Distribution Coefficient, logD

3.754

Water Solubility, LogSw

-3.88

Polar Surface Area

66.686

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

8.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V012-0594 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V012-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0594?
Check Price and Availability of V012-0594, 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 V012-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0594
  • 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 V012-0594 available by request