V028-6541 Screening compound: N-{6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl}-4-(trifluoromethyl)benzamide

V028-6541 Screening compound: N-{6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl}-4-(trifluoromethyl)benzamide
V028-6541 Screening compound: N-{6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl}-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6541
N-{6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl}-4-(trifluoromethyl)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

V028-6541

Molecular Formula

C23H29F3N4O (C23 H29 F3 N4 O)

Compound Name

N-{6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl}-4-(trifluoromethyl)benzamide

IUPAC name

N-{6-[4-(3-methylbutyl)-14-diazepan-1-yl]pyridin-3-yl}-4-(trifluoromethyl)benzamide

SMILES

CC(C)CCN(CCC1)CCN1c(cc1)ncc1NC(c1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C23H29F3N4O/c1-17(2)10-13-29-11-3-12-30(15-14-29)21-9-8-20(16-27-21)28-22(31)18-4-6-19(7-5-18)23(24,25)26/h4-9,16-17H,3,10-15H2,1-2H3,(H,28,31)

InChI Key

ZONVLZFTGGSOSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912038

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-5.29

Polar Surface Area

39.504

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

V028-6541 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V028-6541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6541?
Check Price and Availability of V028-6541, 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 V028-6541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6541
  • 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 V028-6541 available by request