V023-7996 Screening compound: 4-tert-butyl-N-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide

V023-7996 Screening compound: 4-tert-butyl-N-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide
V023-7996 Screening compound: 4-tert-butyl-N-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-7996
4-tert-butyl-N-(6-{4-[(4-fluorophenyl)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

V023-7996

Molecular Formula

C28H33FN4O (C28 H33 FN4 O)

Compound Name

4-tert-butyl-N-(6-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide

IUPAC name

4-tert-butyl-N-(6-{4-[(4-fluorophenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)cnc1N1CCN(Cc(cc2)ccc2F)CCC1)=O

InChI

InChI=1S/C28H33FN4O/c1-28(2,3)23-9-7-22(8-10-23)27(34)31-25-13-14-26(30-19-25)33-16-4-15-32(17-18-33)20-21-5-11-24(29)12-6-21/h5-14,19H,4,15-18,20H2,1-3H3,(H,31,34)

InChI Key

HTMWFRNQYMNVBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912058

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.294

Distribution Coefficient, logD

6.209

Water Solubility, LogSw

-5.35

Polar Surface Area

39.254

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V023-7996 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 V023-7996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-7996?
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What is the minimum amount of V023-7996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-7996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-7996
  • 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 V023-7996 available by request