G868-1100 Screening compound: 6-methyl-2-{4-[2-methyl-5-(propan-2-yl)benzenesulfonyl]piperazin-1-yl}-N-phenylpyrimidin-4-amine

G868-1100 Screening compound: 6-methyl-2-{4-[2-methyl-5-(propan-2-yl)benzenesulfonyl]piperazin-1-yl}-N-phenylpyrimidin-4-amine
G868-1100 Screening compound: 6-methyl-2-{4-[2-methyl-5-(propan-2-yl)benzenesulfonyl]piperazin-1-yl}-N-phenylpyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-1100
6-methyl-2-{4-[2-methyl-5-(propan-2-yl)benzenesulfonyl]piperazin-1-yl}-N-phenylpyrimidin-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

G868-1100

Molecular Formula

C25H31N5O2S (C25 H31 N5 O2 S)

Compound Name

6-methyl-2-{4-[2-methyl-5-(propan-2-yl)benzenesulfonyl]piperazin-1-yl}-N-phenylpyrimidin-4-amine

IUPAC name

6-methyl-2-{4-[2-methyl-5-(propan-2-yl)benzenesulfonyl]piperazin-1-yl}-N-phenylpyrimidin-4-amine

SMILES

CC(C)c1cc(S(N(CC2)CCN2c2nc(Nc3ccccc3)cc(C)n2)(=O)=O)c(C)cc1

InChI

InChI=1S/C25H31N5O2S/c1-18(2)21-11-10-19(3)23(17-21)33(31,32)30-14-12-29(13-15-30)25-26-20(4)16-24(28-25)27-22-8-6-5-7-9-22/h5-11,16-18H,12-15H2,1-4H3,(H,26,27,28)

InChI Key

CABLUGCFXWLKEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.878

Distribution Coefficient, logD

4.938

Water Solubility, LogSw

-5.59

Polar Surface Area

61.994

Acid Dissociation Constant (pKa)

17.88

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

G868-1100 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G868-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-1100?
Check Price and Availability of G868-1100, 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 G868-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-1100
  • 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 G868-1100 available by request