V030-1865 Screening compound: N4,N4-diethyl-N6-[(4-fluorophenyl)methyl]-N6-methylpyrimidine-4,5,6-triamine

V030-1865 Screening compound: N4,N4-diethyl-N6-[(4-fluorophenyl)methyl]-N6-methylpyrimidine-4,5,6-triamine
V030-1865 Screening compound: N4,N4-diethyl-N6-[(4-fluorophenyl)methyl]-N6-methylpyrimidine-4,5,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1865
N4,N4-diethyl-N6-[(4-fluorophenyl)methyl]-N6-methylpyrimidine-4,5,6-triamine

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

V030-1865

Molecular Formula

C16H22FN5 (C16 H22 FN5)

Compound Name

N4,N4-diethyl-N6-[(4-fluorophenyl)methyl]-N6-methylpyrimidine-4,5,6-triamine

IUPAC name

N4N4-diethyl-N6-[(4-fluorophenyl)methyl]-N6-methylpyrimidine-456-triamine

SMILES

CCN(CC)c(ncnc1N(C)Cc(cc2)ccc2F)c1N

InChI

InChI=1S/C16H22FN5/c1-4-22(5-2)16-14(18)15(19-11-20-16)21(3)10-12-6-8-13(17)9-7-12/h6-9,11H,4-5,10,18H2,1-3H3

InChI Key

QDBSFMCAEVPBJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20501343

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

303.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

1.397

Water Solubility, LogSw

-3.19

Polar Surface Area

44.991

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

9.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V030-1865 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V030-1865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1865?
Check Price and Availability of V030-1865, 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 V030-1865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1865
  • 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 V030-1865 available by request