8451-16556 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-methylpropanamide

8451-16556 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-methylpropanamide
8451-16556 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-16556
N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-methylpropanamide

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

8451-16556

Molecular Formula

C21H25ClN6O (C21 H25 ClN6 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H25ClN6O/c1-12(2)19(29)27-20(28-21-25-13(3)9-14(4)26-21)23-8-7-15-11-24-18-6-5-16(22)10-17(15)18/h5-6,9-12,24H,7-8H2,1-4H3,(H2,23,25,26,27,28,29)

InChI Key

UXGJMULOFYUBBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.92

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

3.638

Distribution Coefficient, logD

2.269

Water Solubility, LogSw

-4.04

Polar Surface Area

71.153

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8451-16556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-16556?
Check Price and Availability of 8451-16556, 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 8451-16556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-16556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-16556
  • 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 8451-16556 available by request