Y021-1937 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(3-phenylpropanoyl)guanidine

Y021-1937 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(3-phenylpropanoyl)guanidine
Y021-1937 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(3-phenylpropanoyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1937
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-(3-phenylpropanoyl)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

Y021-1937

Molecular Formula

C26H27ClN6O (C26 H27 ClN6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N/C(/NCCc2c[nH]c(cc3)c2cc3Cl)=N/C(CCc2ccccc2)=O)nc(C)c1

InChI

InChI=1S/C26H27ClN6O/c1-17-14-18(2)31-26(30-17)33-25(32-24(34)11-8-19-6-4-3-5-7-19)28-13-12-20-16-29-23-10-9-21(27)15-22(20)23/h3-7,9-10,14-16,29H,8,11-13H2,1-2H3,(H2,28,30,31,32,33,34)

InChI Key

DCEYOAUABKAXRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07157386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

4.104

Water Solubility, LogSw

-4.78

Polar Surface Area

70.668

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

Y021-1937 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-1937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1937?
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What is the minimum amount of Y021-1937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1937
  • 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 Y021-1937 available by request