Y021-1920 Screening compound: N''-[4-(tert-butyl)benzoyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]guanidine

Y021-1920 Screening compound: N''-[4-(tert-butyl)benzoyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]guanidine
Y021-1920 Screening compound: N''-[4-(tert-butyl)benzoyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1920
N''-[4-(tert-butyl)benzoyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(5-methoxy-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

Y021-1920

Molecular Formula

C29H34N6O2 (C29 H34 N6 O2)

Compound Name

N''-[4-(tert-butyl)benzoyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]guanidine

IUPAC name

4-tert-butyl-N-[(E)-[(46-dimethylpyrimidin-2-yl)amino]({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino})methylidene]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(/N=C(\NCCc1c[nH]c(cc2)c1cc2OC)/Nc1nc(C)cc(C)n1)=O

InChI

InChI=1S/C29H34N6O2/c1-18-15-19(2)33-28(32-18)35-27(34-26(36)20-7-9-22(10-8-20)29(3,4)5)30-14-13-21-17-31-25-12-11-23(37-6)16-24(21)25/h7-12,15-17,31H,13-14H2,1-6H3,(H2,30,32,33,34,35,36)

InChI Key

RGDOEQIADJIUDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.372

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-5.53

Polar Surface Area

78.426

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

10.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.03

Y021-1920 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y021-1920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1920?
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What is the minimum amount of Y021-1920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1920
  • 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 Y021-1920 available by request