G415-4657 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methylpyrimidin-2-amine

G415-4657 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methylpyrimidin-2-amine
G415-4657 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methylpyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G415-4657
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methylpyrimidin-2-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

G415-4657

Molecular Formula

C24H24FN5O3 (C24 H24 FN5 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methylpyrimidin-2-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-methylpyrimidin-2-amine

SMILES

Cc(nc(NCc(cc1)cc2c1OCO2)nc1)c1C(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C24H24FN5O3/c1-16-18(23(31)30-10-8-29(9-11-30)20-5-3-2-4-19(20)25)14-27-24(28-16)26-13-17-6-7-21-22(12-17)33-15-32-21/h2-7,12,14H,8-11,13,15H2,1H3,(H,26,27,28)

InChI Key

USZGEITYLUXASI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15011347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.37

Polar Surface Area

68.000

Acid Dissociation Constant (pKa)

16.51

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G415-4657 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G415-4657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G415-4657?
Check Price and Availability of G415-4657, 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 G415-4657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G415-4657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G415-4657
  • 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 G415-4657 available by request