8211-0140 Screening compound: 2-chloro-N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]benzamide

8211-0140 Screening compound: 2-chloro-N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]benzamide
8211-0140 Screening compound: 2-chloro-N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8211-0140
2-chloro-N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]benzamide

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

8211-0140

Molecular Formula

C24H22Cl2N6O (C24 H22 Cl2 N6 O)

Compound Name

2-chloro-N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]benzamide

IUPAC name

2-chloro-N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(46-dimethylpyrimidin-2-yl)amino]methylidene]benzamide

SMILES

Cc1nc(N/C(/NCCc2c[nH]c(cc3)c2cc3Cl)=N/C(c(cccc2)c2Cl)=O)nc(C)c1

InChI

InChI=1S/C24H22Cl2N6O/c1-14-11-15(2)30-24(29-14)32-23(31-22(33)18-5-3-4-6-20(18)26)27-10-9-16-13-28-21-8-7-17(25)12-19(16)21/h3-8,11-13,28H,9-10H2,1-2H3,(H2,27,29,30,31,32,33)

InChI Key

HEKQRLCWXVXCFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06650265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.546

Distribution Coefficient, logD

2.720

Water Solubility, LogSw

-4.53

Polar Surface Area

70.882

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

9.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8211-0140 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8211-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8211-0140?
Check Price and Availability of 8211-0140, 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 8211-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8211-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8211-0140
  • 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 8211-0140 available by request