V001-6412 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[1,4'-bipiperidine]-1'-carbonyl}-N-(3-fluorophenyl)pyrimidin-4-amine

V001-6412 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[1,4'-bipiperidine]-1'-carbonyl}-N-(3-fluorophenyl)pyrimidin-4-amine
V001-6412 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-{[1,4'-bipiperidine]-1'-carbonyl}-N-(3-fluorophenyl)pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6412
2-(2H-1,3-benzodioxol-5-yl)-5-{[1,4'-bipiperidine]-1'-carbonyl}-N-(3-fluorophenyl)pyrimidin-4-amine

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

V001-6412

Molecular Formula

C28H30FN5O3 (C28 H30 FN5 O3)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-5-{[1,4'-bipiperidine]-1'-carbonyl}-N-(3-fluorophenyl)pyrimidin-4-amine

IUPAC name

2-(2H-13-benzodioxol-5-yl)-5-{[14'-bipiperidine]-1'-carbonyl}-N-(3-fluorophenyl)pyrimidin-4-amine

SMILES

O=C(c1cnc(-c(cc2)cc3c2OCO3)nc1Nc1cccc(F)c1)N(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C28H30FN5O3/c29-20-5-4-6-21(16-20)31-27-23(17-30-26(32-27)19-7-8-24-25(15-19)37-18-36-24)28(35)34-13-9-22(10-14-34)33-11-2-1-3-12-33/h4-8,15-17,22H,1-3,9-14,18H2,(H,30,31,32)

InChI Key

XTYKUQHMHFMPFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973576

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.875

Distribution Coefficient, logD

1.435

Water Solubility, LogSw

-4.59

Polar Surface Area

65.469

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

V001-6412 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V001-6412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6412?
Check Price and Availability of V001-6412, 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 V001-6412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6412
  • 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 V001-6412 available by request