Y021-1935 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-phenylacetyl)guanidine

Y021-1935 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-phenylacetyl)guanidine
Y021-1935 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-phenylacetyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1935
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-phenylacetyl)guanidine

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

Y021-1935

Molecular Formula

C25H25ClN6O (C25 H25 ClN6 O)

Compound Name

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(2-phenylacetyl)guanidine

IUPAC name

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

SMILES

Cc1nc(N/C(/NCCc2c[nH]c(cc3)c2cc3Cl)=N/C(Cc2ccccc2)=O)nc(C)c1

InChI

InChI=1S/C25H25ClN6O/c1-16-12-17(2)30-25(29-16)32-24(31-23(33)13-18-6-4-3-5-7-18)27-11-10-19-15-28-22-9-8-20(26)14-21(19)22/h3-9,12,14-15,28H,10-11,13H2,1-2H3,(H2,27,29,30,31,32,33)

InChI Key

QWFWEGRWDJLHNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07157376

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

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.273

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-4.49

Polar Surface Area

70.668

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y021-1935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1935?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1935
  • 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 Y021-1935 available by request