G869-0987 Screening compound: N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-5-methylbenzene-1-sulfonamide

G869-0987 Screening compound: N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-5-methylbenzene-1-sulfonamide
G869-0987 Screening compound: N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-5-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0987
N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-5-methylbenzene-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

G869-0987

Molecular Formula

C21H25N5O3S (C21 H25 N5 O3 S)

Compound Name

N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-5-methylbenzene-1-sulfonamide

IUPAC name

N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxy-5-methylbenzene-1-sulfonamide

SMILES

CCNc1cc(C)nc(Nc(cc2)ccc2NS(c(cc(C)cc2)c2OC)(=O)=O)n1

InChI

InChI=1S/C21H25N5O3S/c1-5-22-20-13-15(3)23-21(25-20)24-16-7-9-17(10-8-16)26-30(27,28)19-12-14(2)6-11-18(19)29-4/h6-13,26H,5H2,1-4H3,(H2,22,23,24,25)

InChI Key

ULRXINPGGGPJMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.17

Polar Surface Area

87.642

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G869-0987 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G869-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0987?
Check Price and Availability of G869-0987, 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 G869-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0987
  • 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 G869-0987 available by request