V016-3907 Screening compound: 3-(1-benzylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(6-methylpyridin-2-yl)methyl]urea

V016-3907 Screening compound: 3-(1-benzylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(6-methylpyridin-2-yl)methyl]urea
V016-3907 Screening compound: 3-(1-benzylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(6-methylpyridin-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-3907
3-(1-benzylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(6-methylpyridin-2-yl)methyl]urea

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

V016-3907

Molecular Formula

C26H29BrN4O (C26 H29 BrN4 O)

Compound Name

3-(1-benzylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(6-methylpyridin-2-yl)methyl]urea

IUPAC name

3-(1-benzylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(6-methylpyridin-2-yl)methyl]urea

SMILES

Cc1cccc(CN(C2CCN(Cc3ccccc3)CC2)C(Nc(cccc2)c2Br)=O)n1

InChI

InChI=1S/C26H29BrN4O/c1-20-8-7-11-22(28-20)19-31(26(32)29-25-13-6-5-12-24(25)27)23-14-16-30(17-15-23)18-21-9-3-2-4-10-21/h2-13,23H,14-19H2,1H3,(H,29,32)

InChI Key

NGBGKYZGQDCVKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01391725

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.45

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

5.341

Distribution Coefficient, logD

4.493

Water Solubility, LogSw

-5.28

Polar Surface Area

36.003

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

V016-3907 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V016-3907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3907?
Check Price and Availability of V016-3907, 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 V016-3907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3907
  • 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 V016-3907 available by request