G415-4461 Screening compound: 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine

G415-4461 Screening compound: 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
G415-4461 Screening compound: 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G415-4461
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-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

G415-4461

Molecular Formula

C24H26FN5O2 (C24 H26 FN5 O2)

Compound Name

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine

IUPAC name

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine

SMILES

Cc(nc(NCc(cc1)ccc1OC)nc1)c1C(N(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C24H26FN5O2/c1-17-22(16-27-24(28-17)26-15-18-3-9-21(32-2)10-4-18)23(31)30-13-11-29(12-14-30)20-7-5-19(25)6-8-20/h3-10,16H,11-15H2,1-2H3,(H,26,27,28)

InChI Key

CAGQLUORGRHFSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15011253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.087

Distribution Coefficient, logD

3.087

Water Solubility, LogSw

-3.26

Polar Surface Area

58.729

Acid Dissociation Constant (pKa)

16.00

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G415-4461 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 G415-4461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G415-4461?
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What is the minimum amount of G415-4461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G415-4461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G415-4461
  • 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 G415-4461 available by request