8341-0072 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-4-methylbenzamide

8341-0072 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-4-methylbenzamide
8341-0072 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8341-0072
N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-4-methylbenzamide

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

8341-0072

Molecular Formula

C25H25ClN6O (C25 H25 ClN6 O)

Compound Name

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

IUPAC name

N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(46-dimethylpyrimidin-2-yl)amino]methylidene]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(/N=C(\NCCc1c[nH]c(cc2)c1cc2Cl)/Nc1nc(C)cc(C)n1)=O

InChI

InChI=1S/C25H25ClN6O/c1-15-4-6-18(7-5-15)23(33)31-24(32-25-29-16(2)12-17(3)30-25)27-11-10-19-14-28-22-9-8-20(26)13-21(19)22/h4-9,12-14,28H,10-11H2,1-3H3,(H2,27,29,30,31,32,33)

InChI Key

BJEUJGKTVGBZJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07157377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.97

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

4.653

Distribution Coefficient, logD

1.677

Water Solubility, LogSw

-4.71

Polar Surface Area

70.882

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

10.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8341-0072 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 8341-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8341-0072?
Check Price and Availability of 8341-0072, 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 8341-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8341-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8341-0072
  • 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 8341-0072 available by request