V012-5104 Screening compound: 2-(4-chlorophenoxy)-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide

V012-5104 Screening compound: 2-(4-chlorophenoxy)-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide
V012-5104 Screening compound: 2-(4-chlorophenoxy)-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5104
2-(4-chlorophenoxy)-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide

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

V012-5104

Molecular Formula

C25H26ClN5O4 (C25 H26 ClN5 O4)

Compound Name

2-(4-chlorophenoxy)-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)acetamide

IUPAC name

2-(4-chlorophenoxy)-N-(6-{4-[(2-nitrophenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)acetamide

SMILES

[O-][N+](c1c(CN(CCC2)CCN2c(cc2)ncc2NC(COc(cc2)ccc2Cl)=O)cccc1)=O

InChI

InChI=1S/C25H26ClN5O4/c26-20-6-9-22(10-7-20)35-18-25(32)28-21-8-11-24(27-16-21)30-13-3-12-29(14-15-30)17-19-4-1-2-5-23(19)31(33)34/h1-2,4-11,16H,3,12-15,17-18H2,(H,28,32)

InChI Key

UKZGQLSFVAEWSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912114

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.113

Distribution Coefficient, logD

5.055

Water Solubility, LogSw

-5.57

Polar Surface Area

79.621

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V012-5104 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V012-5104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5104?
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What is the minimum amount of V012-5104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5104
  • 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 V012-5104 available by request