8211-0133 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2,2-dimethylpropanamide

8211-0133 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2,2-dimethylpropanamide
8211-0133 Screening compound: N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8211-0133
N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2,2-dimethylpropanamide

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

8211-0133

Molecular Formula

C22H27ClN6O (C22 H27 ClN6 O)

Compound Name

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

IUPAC name

N-[(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(46-dimethylpyrimidin-2-yl)amino]methylidene]-22-dimethylpropanamide

SMILES

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

InChI

InChI=1S/C22H27ClN6O/c1-13-10-14(2)27-21(26-13)29-20(28-19(30)22(3,4)5)24-9-8-15-12-25-18-7-6-16(23)11-17(15)18/h6-7,10-12,25H,8-9H2,1-5H3,(H2,24,26,27,28,29,30)

InChI Key

SDCLJRVKBVTNGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06650259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.95

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

4.079

Distribution Coefficient, logD

2.336

Water Solubility, LogSw

-4.38

Polar Surface Area

71.153

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8211-0133 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8211-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8211-0133?
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What is the minimum amount of 8211-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8211-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8211-0133
  • 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 8211-0133 available by request