Y021-2053 Screening compound: N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)-N'-(1-naphthyl)guanidine

Y021-2053 Screening compound: N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)-N'-(1-naphthyl)guanidine
Y021-2053 Screening compound: N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)-N'-(1-naphthyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2053
N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)-N'-(1-naphthyl)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

Y021-2053

Molecular Formula

C22H18ClN5OS (C22 H18 ClN5 OS)

Compound Name

N-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)-N'-(1-naphthyl)guanidine

IUPAC name

N'-(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-16-dihydropyrimidin-2-yl)-N-(naphthalen-1-yl)guanidine

SMILES

N=C(Nc1cccc2ccccc12)NC(N1)=NC(CSc(cc2)ccc2Cl)=CC1=O

InChI

InChI=1S/C22H18ClN5OS/c23-15-8-10-17(11-9-15)30-13-16-12-20(29)27-22(25-16)28-21(24)26-19-7-3-5-14-4-1-2-6-18(14)19/h1-12H,13H2,(H4,24,25,26,27,28,29)

InChI Key

HCYKDRKCOJOWHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08592323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

3.967

Water Solubility, LogSw

-5.19

Polar Surface Area

71.417

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.55

Y021-2053 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y021-2053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2053?
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What is the minimum amount of Y021-2053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2053
  • 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 Y021-2053 available by request