8451-16561 Screening compound: (2E)-N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-(furan-2-yl)prop-2-enamide

8451-16561 Screening compound: (2E)-N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-(furan-2-yl)prop-2-enamide
8451-16561 Screening compound: (2E)-N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-(furan-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-16561
(2E)-N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-(furan-2-yl)prop-2-enamide

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

8451-16561

Molecular Formula

C24H23ClN6O2 (C24 H23 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N/C(/NCCc2c[nH]c(cc3)c2cc3Cl)=N/C(/C=C/c2ccco2)=O)nc(C)c1

InChI

InChI=1S/C24H23ClN6O2/c1-15-12-16(2)29-24(28-15)31-23(30-22(32)8-6-19-4-3-11-33-19)26-10-9-17-14-27-21-7-5-18(25)13-20(17)21/h3-8,11-14,27H,9-10H2,1-2H3,(H2,26,28,29,30,31,32)

InChI Key

OUQGKYKWGUUHPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

2.703

Water Solubility, LogSw

-4.35

Polar Surface Area

78.417

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8451-16561 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8451-16561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-16561?
Check Price and Availability of 8451-16561, 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 8451-16561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-16561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-16561
  • 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 8451-16561 available by request