D636-0017 Screening compound: 2,5-difluoro-N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

D636-0017 Screening compound: 2,5-difluoro-N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide
D636-0017 Screening compound: 2,5-difluoro-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 D636-0017
2,5-difluoro-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

D636-0017

Molecular Formula

C21H21F2N5O3S (C21 H21 F2 N5 O3 S)

Compound Name

2,5-difluoro-N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

IUPAC name

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

SMILES

Cc1cc(Nc(cc2)ccc2NS(c(cc(cc2)F)c2F)(=O)=O)nc(N2CCOCC2)n1

InChI

InChI=1S/C21H21F2N5O3S/c1-14-12-20(26-21(24-14)28-8-10-31-11-9-28)25-16-3-5-17(6-4-16)27-32(29,30)19-13-15(22)2-7-18(19)23/h2-7,12-13,27H,8-11H2,1H3,(H,24,25,26)

InChI Key

MQMIJUKGZALWNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.49

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

4.025

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-4.00

Polar Surface Area

79.033

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D636-0017 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D636-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D636-0017?
Check Price and Availability of D636-0017, 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 D636-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D636-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D636-0017
  • 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 D636-0017 available by request