V030-4100 Screening compound: 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidin-5-amine

V030-4100 Screening compound: 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidin-5-amine
V030-4100 Screening compound: 4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4100
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidin-5-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

V030-4100

Molecular Formula

C16H20FN5 (C16 H20 FN5)

Compound Name

4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidin-5-amine

IUPAC name

4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidin-5-amine

SMILES

CCN(CC1)CCN1c(ncnc1-c(cc2)ccc2F)c1N

InChI

InChI=1S/C16H20FN5/c1-2-21-7-9-22(10-8-21)16-14(18)15(19-11-20-16)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10,18H2,1H3

InChI Key

PJAFDPLTOZYMHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19976822

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

301.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.302

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-2.22

Polar Surface Area

46.856

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V030-4100 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V030-4100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4100?
Check Price and Availability of V030-4100, 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 V030-4100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4100
  • 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 V030-4100 available by request