Y021-1691 Screening compound: N-(4-fluorophenyl)-N'-(4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)guanidine

Y021-1691 Screening compound: N-(4-fluorophenyl)-N'-(4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)guanidine
Y021-1691 Screening compound: N-(4-fluorophenyl)-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 Y021-1691
N-(4-fluorophenyl)-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

Y021-1691

Molecular Formula

C15H14FN7OS2 (C15 H14 FN7 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc(SCC(N=C(NC(Nc(cc2)ccc2F)=N)N2)=CC2=O)s1

InChI

InChI=1S/C15H14FN7OS2/c1-8-22-23-15(26-8)25-7-11-6-12(24)20-14(19-11)21-13(17)18-10-4-2-9(16)3-5-10/h2-6H,7H2,1H3,(H4,17,18,19,20,21,24)

InChI Key

NVJLSWNQAUQXJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08718871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.112

Distribution Coefficient, logD

1.771

Water Solubility, LogSw

-2.79

Polar Surface Area

95.058

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y021-1691 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 Y021-1691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1691?
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What is the minimum amount of Y021-1691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1691
  • 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 Y021-1691 available by request