V016-0029 Screening compound: 3-methoxy-N-(6-{4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide

V016-0029 Screening compound: 3-methoxy-N-(6-{4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide
V016-0029 Screening compound: 3-methoxy-N-(6-{4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-0029
3-methoxy-N-(6-{4-[(2,3,4-trimethoxyphenyl)methyl]-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

V016-0029

Molecular Formula

C28H34N4O5 (C28 H34 N4 O5)

Compound Name

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

IUPAC name

3-methoxy-N-(6-{4-[(234-trimethoxyphenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)benzamide

SMILES

COc1cccc(C(Nc(cc2)cnc2N2CCN(Cc(ccc(OC)c3OC)c3OC)CCC2)=O)c1

InChI

InChI=1S/C28H34N4O5/c1-34-23-8-5-7-20(17-23)28(33)30-22-10-12-25(29-18-22)32-14-6-13-31(15-16-32)19-21-9-11-24(35-2)27(37-4)26(21)36-3/h5,7-12,17-18H,6,13-16,19H2,1-4H3,(H,30,33)

InChI Key

HQZJLYDJRDIDJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912202

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

3.492

Water Solubility, LogSw

-4.21

Polar Surface Area

69.863

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

8.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V016-0029 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V016-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-0029?
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What is the minimum amount of V016-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-0029
  • 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 V016-0029 available by request