V013-2174 Screening compound: 4-tert-butyl-N-(6-{4-[(pyridin-3-yl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide

V013-2174 Screening compound: 4-tert-butyl-N-(6-{4-[(pyridin-3-yl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide
V013-2174 Screening compound: 4-tert-butyl-N-(6-{4-[(pyridin-3-yl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2174
4-tert-butyl-N-(6-{4-[(pyridin-3-yl)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

V013-2174

Molecular Formula

C27H33N5O (C27 H33 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)cnc1N1CCN(Cc2cnccc2)CCC1)=O

InChI

InChI=1S/C27H33N5O/c1-27(2,3)23-9-7-22(8-10-23)26(33)30-24-11-12-25(29-19-24)32-15-5-14-31(16-17-32)20-21-6-4-13-28-18-21/h4,6-13,18-19H,5,14-17,20H2,1-3H3,(H,30,33)

InChI Key

XUORJCGPTBFJIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19979625

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.951

Distribution Coefficient, logD

4.901

Water Solubility, LogSw

-4.15

Polar Surface Area

48.772

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V013-2174 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V013-2174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2174?
Check Price and Availability of V013-2174, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V013-2174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2174
  • 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 V013-2174 available by request