G869-1331 Screening compound: 4-butoxy-N-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]amino}phenyl)benzene-1-sulfonamide

G869-1331 Screening compound: 4-butoxy-N-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]amino}phenyl)benzene-1-sulfonamide
G869-1331 Screening compound: 4-butoxy-N-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]amino}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-1331
4-butoxy-N-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-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

G869-1331

Molecular Formula

C25H31N5O4S (C25 H31 N5 O4 S)

Compound Name

4-butoxy-N-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]amino}phenyl)benzene-1-sulfonamide

IUPAC name

4-butoxy-N-(4-{[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]amino}phenyl)benzene-1-sulfonamide

SMILES

CCCCOc(cc1)ccc1S(Nc(cc1)ccc1Nc1nc(N2CCOCC2)cc(C)n1)(=O)=O

InChI

InChI=1S/C25H31N5O4S/c1-3-4-15-34-22-9-11-23(12-10-22)35(31,32)29-21-7-5-20(6-8-21)27-25-26-19(2)18-24(28-25)30-13-16-33-17-14-30/h5-12,18,29H,3-4,13-17H2,1-2H3,(H,26,27,28)

InChI Key

QOXHHWSCRWSNPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.494

Distribution Coefficient, logD

5.432

Water Solubility, LogSw

-5.31

Polar Surface Area

87.554

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

G869-1331 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G869-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-1331?
Check Price and Availability of G869-1331, 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 G869-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-1331
  • 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 G869-1331 available by request