Y503-3779 Screening compound: 3-[(acetyloxy)methyl]-7-({2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Y503-3779 Screening compound: 3-[(acetyloxy)methyl]-7-({2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Y503-3779 Screening compound: 3-[(acetyloxy)methyl]-7-({2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-3779
3-[(acetyloxy)methyl]-7-({2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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

Y503-3779

Molecular Formula

C17H18F2N4O6S (C17 H18 F2 N4 O6 S)

Compound Name

3-[(acetyloxy)methyl]-7-({2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

IUPAC name

3-[(acetyloxy)methyl]-7-{2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES

CC(OCC(CSC1C2NC(Cn3nc(C(F)F)cc3C)=O)=C(C(O)=O)N1C2=O)=O

InChI

InChI=1S/C17H18F2N4O6S/c1-7-3-10(14(18)19)21-22(7)4-11(25)20-12-15(26)23-13(17(27)28)9(5-29-8(2)24)6-30-16(12)23/h3,12,14,16H,4-6H2,1-2H3,(H,20,25)(H,27,28)

InChI Key

WEDRVWSOQKXMFE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.613

Distribution Coefficient, logD

-6.240

Water Solubility, LogSw

-1.63

Polar Surface Area

104.936

Acid Dissociation Constant (pKa)

2.44

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

References: we are preparing a list of scientific research reports with Y503-3779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-3779?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-3779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-3779
  • 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 Y503-3779 available by request