G868-1161 Screening compound: 2-[4-(5-chloro-2-methoxy-4-methylbenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine

G868-1161 Screening compound: 2-[4-(5-chloro-2-methoxy-4-methylbenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
G868-1161 Screening compound: 2-[4-(5-chloro-2-methoxy-4-methylbenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-1161
2-[4-(5-chloro-2-methoxy-4-methylbenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-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

G868-1161

Molecular Formula

C24H28ClN5O3S (C24 H28 ClN5 O3 S)

Compound Name

2-[4-(5-chloro-2-methoxy-4-methylbenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine

IUPAC name

2-[4-(5-chloro-2-methoxy-4-methylbenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine

SMILES

Cc(cc1)ccc1Nc1cc(C)nc(N(CC2)CCN2S(c2cc(Cl)c(C)cc2OC)(=O)=O)n1

InChI

InChI=1S/C24H28ClN5O3S/c1-16-5-7-19(8-6-16)27-23-14-18(3)26-24(28-23)29-9-11-30(12-10-29)34(31,32)22-15-20(25)17(2)13-21(22)33-4/h5-8,13-15H,9-12H2,1-4H3,(H,26,27,28)

InChI Key

ABWOYYUNGIRKRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27165098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.917

Distribution Coefficient, logD

4.977

Water Solubility, LogSw

-6.14

Polar Surface Area

69.624

Acid Dissociation Constant (pKa)

17.76

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G868-1161 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G868-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-1161?
Check Price and Availability of G868-1161, 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 G868-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-1161
  • 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 G868-1161 available by request