Y021-1956 Screening compound: N''-[(E)-3-(4-chlorophenyl)-2-propenoyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(1H-indol-3-yl)ethyl]guanidine

Y021-1956 Screening compound: N''-[(E)-3-(4-chlorophenyl)-2-propenoyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(1H-indol-3-yl)ethyl]guanidine
Y021-1956 Screening compound: N''-[(E)-3-(4-chlorophenyl)-2-propenoyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(1H-indol-3-yl)ethyl]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1956
N''-[(E)-3-(4-chlorophenyl)-2-propenoyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(1H-indol-3-yl)ethyl]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

Y021-1956

Molecular Formula

C26H25ClN6O (C26 H25 ClN6 O)

Compound Name

N''-[(E)-3-(4-chlorophenyl)-2-propenoyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(1H-indol-3-yl)ethyl]guanidine

IUPAC name

(2E)-3-(4-chlorophenyl)-N-[(E)-[(46-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]prop-2-enamide

SMILES

Cc1nc(N/C(/NCCc2c[nH]c3c2cccc3)=N/C(/C=C/c(cc2)ccc2Cl)=O)nc(C)c1

InChI

InChI=1S/C26H25ClN6O/c1-17-15-18(2)31-26(30-17)33-25(32-24(34)12-9-19-7-10-21(27)11-8-19)28-14-13-20-16-29-23-6-4-3-5-22(20)23/h3-12,15-16,29H,13-14H2,1-2H3,(H2,28,30,31,32,33,34)

InChI Key

YIDXBTUYTSJNHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06650296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.98

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

4.647

Distribution Coefficient, logD

3.733

Water Solubility, LogSw

-4.99

Polar Surface Area

70.668

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

Y021-1956 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y021-1956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1956?
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What is the minimum amount of Y021-1956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1956
  • 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 Y021-1956 available by request