Y021-1894 Screening compound: N''-acetyl-N-(3,4-dimethoxyphenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)guanidine

Y021-1894 Screening compound: N''-acetyl-N-(3,4-dimethoxyphenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)guanidine
Y021-1894 Screening compound: N''-acetyl-N-(3,4-dimethoxyphenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1894
N''-acetyl-N-(3,4-dimethoxyphenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)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

Y021-1894

Molecular Formula

C17H21N5O3 (C17 H21 N5 O3)

Compound Name

N''-acetyl-N-(3,4-dimethoxyphenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)guanidine

IUPAC name

N-[(Z)-[(34-dimethoxyphenyl)amino][(46-dimethylpyrimidin-2-yl)amino]methylidene]acetamide

SMILES

CC(/N=C(/Nc(cc1)cc(OC)c1OC)\Nc1nc(C)cc(C)n1)=O

InChI

InChI=1S/C17H21N5O3/c1-10-8-11(2)19-16(18-10)22-17(20-12(3)23)21-13-6-7-14(24-4)15(9-13)25-5/h6-9H,1-5H3,(H2,18,19,20,21,22,23)

InChI Key

XYJUFVCERONGDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06595463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.579

Distribution Coefficient, logD

1.503

Water Solubility, LogSw

-2.00

Polar Surface Area

75.279

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

Y021-1894 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-1894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1894?
Check Price and Availability of Y021-1894, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y021-1894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1894
  • 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 Y021-1894 available by request