Y021-1451 Screening compound: {N}-(4,6-dimethylpyrimidin-2-yl)-{N}'-(4-hydroxyphenyl)guanidine - (4,6-dimethylpyrimidin-2-yl)cyanamide (1:1)

Y021-1451 Screening compound: {N}-(4,6-dimethylpyrimidin-2-yl)-{N}'-(4-hydroxyphenyl)guanidine - (4,6-dimethylpyrimidin-2-yl)cyanamide (1:1)
Y021-1451 Screening compound: {N}-(4,6-dimethylpyrimidin-2-yl)-{N}'-(4-hydroxyphenyl)guanidine - (4,6-dimethylpyrimidin-2-yl)cyanamide (1:1) alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1451
{N}-(4,6-dimethylpyrimidin-2-yl)-{N}'-(4-hydroxyphenyl)guanidine - (4,6-dimethylpyrimidin-2-yl)cyanamide (1:1)

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

Y021-1451

Molecular Formula

C20H23N9O (C20 H23 N9 O)

Compound Name

{N}-(4,6-dimethylpyrimidin-2-yl)-{N}'-(4-hydroxyphenyl)guanidine - (4,6-dimethylpyrimidin-2-yl)cyanamide (1:1)

IUPAC name

N'-(46-dimethylpyrimidin-2-yl)-N-(4-hydroxyphenyl)guanidine

SMILES

Cc1nc(NC(Nc(cc2)ccc2O)=N)nc(C)c1.Cc1nc(NC#N)nc(C)c1

InChI

InChI=1S/C13H15N5O.C7H8N4/c1-8-7-9(2)16-13(15-8)18-12(14)17-10-3-5-11(19)6-4-10;1-5-3-6(2)11-7(10-5)9-4-8/h3-7,19H,1-2H3,(H3,14,15,16,17,18);3H,1-2H3,(H,9,10,11)

InChI Key

XYFCXVIQMFFMFA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

-2.946

Water Solubility, LogSw

-1.97

Polar Surface Area

120.039

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y021-1451 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 Y021-1451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1451?
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What is the minimum amount of Y021-1451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1451
  • 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 Y021-1451 available by request