V013-0857 Screening compound: N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-fluorobenzamide

V013-0857 Screening compound: N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-fluorobenzamide
V013-0857 Screening compound: N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0857
N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-fluorobenzamide

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

V013-0857

Molecular Formula

C24H23F3N4O (C24 H23 F3 N4 O)

Compound Name

N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-fluorobenzamide

IUPAC name

N-(6-{4-[(24-difluorophenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)-2-fluorobenzamide

SMILES

O=C(c(cccc1)c1F)Nc(cc1)cnc1N1CCN(Cc(ccc(F)c2)c2F)CCC1

InChI

InChI=1S/C24H23F3N4O/c25-18-7-6-17(22(27)14-18)16-30-10-3-11-31(13-12-30)23-9-8-19(15-28-23)29-24(32)20-4-1-2-5-21(20)26/h1-2,4-9,14-15H,3,10-13,16H2,(H,29,32)

InChI Key

RYPKQJQLLKUEFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912138

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

440.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.749

Water Solubility, LogSw

-4.56

Polar Surface Area

39.254

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V013-0857 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 V013-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0857?
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What is the minimum amount of V013-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0857
  • 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 V013-0857 available by request