G868-0420 Screening compound: 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

G868-0420 Screening compound: 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
G868-0420 Screening compound: 2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0420
2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-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

G868-0420

Molecular Formula

C18H21F2N5O (C18 H21 F2 N5 O)

Compound Name

2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

IUPAC name

2-[4-(26-difluorobenzoyl)piperazin-1-yl]-NN6-trimethylpyrimidin-4-amine

SMILES

Cc1nc(N(CC2)CCN2C(c(c(F)ccc2)c2F)=O)nc(N(C)C)c1

InChI

InChI=1S/C18H21F2N5O/c1-12-11-15(23(2)3)22-18(21-12)25-9-7-24(8-10-25)17(26)16-13(19)5-4-6-14(16)20/h4-6,11H,7-10H2,1-3H3

InChI Key

ZQIMSHMSRDQPLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

2.007

Water Solubility, LogSw

-3.01

Polar Surface Area

39.720

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

8.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G868-0420 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 G868-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0420?
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What is the minimum amount of G868-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0420
  • 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 G868-0420 available by request