D578-0113 Screening compound: 4-fluoro-N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

D578-0113 Screening compound: 4-fluoro-N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide
D578-0113 Screening compound: 4-fluoro-N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D578-0113
4-fluoro-N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-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

D578-0113

Molecular Formula

C21H22FN5O3S (C21 H22 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(Nc(cc2)ccc2NS(c(cc2)ccc2F)(=O)=O)nc(N2CCOCC2)n1

InChI

InChI=1S/C21H22FN5O3S/c1-15-14-20(25-21(23-15)27-10-12-30-13-11-27)24-17-4-6-18(7-5-17)26-31(28,29)19-8-2-16(22)3-9-19/h2-9,14,26H,10-13H2,1H3,(H,23,24,25)

InChI Key

FVKXWWZXIHCRRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.96

Polar Surface Area

79.033

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D578-0113 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PI3K-Targeted Library (17255 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D578-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0113?
Check Price and Availability of D578-0113, 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 D578-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0113
  • 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 D578-0113 available by request