V014-8684 Screening compound: 3,5-difluoro-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide

V014-8684 Screening compound: 3,5-difluoro-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide
V014-8684 Screening compound: 3,5-difluoro-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8684
3,5-difluoro-N-(6-{4-[(2-nitrophenyl)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

V014-8684

Molecular Formula

C24H23F2N5O3 (C24 H23 F2 N5 O3)

Compound Name

3,5-difluoro-N-(6-{4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide

IUPAC name

35-difluoro-N-(6-{4-[(2-nitrophenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)benzamide

SMILES

[O-][N+](c1c(CN(CCC2)CCN2c(cc2)ncc2NC(c2cc(F)cc(F)c2)=O)cccc1)=O

InChI

InChI=1S/C24H23F2N5O3/c25-19-12-18(13-20(26)14-19)24(32)28-21-6-7-23(27-15-21)30-9-3-8-29(10-11-30)16-17-4-1-2-5-22(17)31(33)34/h1-2,4-7,12-15H,3,8-11,16H2,(H,28,32)

InChI Key

LCJMSGBFERLVSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912288

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.020

Distribution Coefficient, logD

4.946

Water Solubility, LogSw

-4.83

Polar Surface Area

72.335

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V014-8684 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V014-8684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8684?
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What is the minimum amount of V014-8684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8684
  • 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 V014-8684 available by request