Y021-1689 Screening compound: N-(2,4-dimethoxyphenyl)-N'-(4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)guanidine

Y021-1689 Screening compound: N-(2,4-dimethoxyphenyl)-N'-(4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)guanidine
Y021-1689 Screening compound: N-(2,4-dimethoxyphenyl)-N'-(4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1689
N-(2,4-dimethoxyphenyl)-N'-(4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydro-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

Y021-1689

Molecular Formula

C17H19N7O3S2 (C17 H19 N7 O3 S2)

Compound Name

N-(2,4-dimethoxyphenyl)-N'-(4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)guanidine

IUPAC name

N-(24-dimethoxyphenyl)-N'-(4-{[(5-methyl-134-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-16-dihydropyrimidin-2-yl)guanidine

SMILES

Cc1nnc(SCC(N=C(NC(Nc(ccc(OC)c2)c2OC)=N)N2)=CC2=O)s1

InChI

InChI=1S/C17H19N7O3S2/c1-9-23-24-17(29-9)28-8-10-6-14(25)21-16(19-10)22-15(18)20-12-5-4-11(26-2)7-13(12)27-3/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22,25)

InChI Key

JGPGFOKSIBZZIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08718863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.874

Distribution Coefficient, logD

1.523

Water Solubility, LogSw

-2.63

Polar Surface Area

109.534

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

Y021-1689 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y021-1689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1689?
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What is the minimum amount of Y021-1689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1689
  • 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 Y021-1689 available by request