G868-0401 Screening compound: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine

G868-0401 Screening compound: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
G868-0401 Screening compound: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0401
2-[4-(4-tert-butylbenzoyl)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

G868-0401

Molecular Formula

C22H31N5O (C22 H31 N5 O)

Compound Name

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

IUPAC name

2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-NN6-trimethylpyrimidin-4-amine

SMILES

CC(C)(C)c(cc1)ccc1C(N(CC1)CCN1c1nc(N(C)C)cc(C)n1)=O

InChI

InChI=1S/C22H31N5O/c1-16-15-19(25(5)6)24-21(23-16)27-13-11-26(12-14-27)20(28)17-7-9-18(10-8-17)22(2,3)4/h7-10,15H,11-14H2,1-6H3

InChI Key

QMNGTOOCSGDLSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.572

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-4.31

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

50.00

G868-0401 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G868-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0401?
Check Price and Availability of G868-0401, 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 G868-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0401
  • 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 G868-0401 available by request