Y021-1683 Screening compound: N-(2,4-dimethylphenyl)-N'-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)guanidine

Y021-1683 Screening compound: N-(2,4-dimethylphenyl)-N'-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)guanidine
Y021-1683 Screening compound: N-(2,4-dimethylphenyl)-N'-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1683
N-(2,4-dimethylphenyl)-N'-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)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

Y021-1683

Molecular Formula

C16H19N5O (C16 H19 N5 O)

Compound Name

N-(2,4-dimethylphenyl)-N'-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)guanidine

IUPAC name

N-(24-dimethylphenyl)-N'-{4-oxo-3H4H5H6H7H-cyclopenta[d]pyrimidin-2-yl}guanidine

SMILES

Cc(cc1)cc(C)c1NC(NC(N1)=NC(CCC2)=C2C1=O)=N

InChI

InChI=1S/C16H19N5O/c1-9-6-7-12(10(2)8-9)18-15(17)21-16-19-13-5-3-4-11(13)14(22)20-16/h6-8H,3-5H2,1-2H3,(H4,17,18,19,20,21,22)

InChI Key

FLDVSAQBUHFUIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08709166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

2.241

Water Solubility, LogSw

-2.78

Polar Surface Area

71.891

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

Y021-1683 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y021-1683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1683?
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What is the minimum amount of Y021-1683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1683
  • 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 Y021-1683 available by request