G869-1161 Screening compound: 2,5-diethoxy-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}amino)phenyl]benzene-1-sulfonamide

G869-1161 Screening compound: 2,5-diethoxy-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}amino)phenyl]benzene-1-sulfonamide
G869-1161 Screening compound: 2,5-diethoxy-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}amino)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-1161
2,5-diethoxy-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}amino)phenyl]benzene-1-sulfonamide

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

G869-1161

Molecular Formula

C28H31N5O5S (C28 H31 N5 O5 S)

Compound Name

2,5-diethoxy-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}amino)phenyl]benzene-1-sulfonamide

IUPAC name

25-diethoxy-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}amino)phenyl]benzene-1-sulfonamide

SMILES

CCOc(cc1)cc(S(Nc(cc2)ccc2Nc2nc(Nc(cc3)ccc3OC)cc(C)n2)(=O)=O)c1OCC

InChI

InChI=1S/C28H31N5O5S/c1-5-37-24-15-16-25(38-6-2)26(18-24)39(34,35)33-22-9-7-21(8-10-22)31-28-29-19(3)17-27(32-28)30-20-11-13-23(36-4)14-12-20/h7-18,33H,5-6H2,1-4H3,(H2,29,30,31,32)

InChI Key

JBNRNGGYKIPROI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.073

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.58

Polar Surface Area

100.669

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G869-1161 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G869-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-1161?
Check Price and Availability of G869-1161, 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 G869-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-1161
  • 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 G869-1161 available by request