Y502-4983 Screening compound: 7-[({5-[(2-chloro-5-nitrophenoxy)methyl]-2-furyl}carbonyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Y502-4983 Screening compound: 7-[({5-[(2-chloro-5-nitrophenoxy)methyl]-2-furyl}carbonyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Y502-4983 Screening compound: 7-[({5-[(2-chloro-5-nitrophenoxy)methyl]-2-furyl}carbonyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-4983
7-[({5-[(2-chloro-5-nitrophenoxy)methyl]-2-furyl}carbonyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-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

Y502-4983

Molecular Formula

C23H18ClN5O8S3 (C23 H18 ClN5 O8 S3)

Compound Name

7-[({5-[(2-chloro-5-nitrophenoxy)methyl]-2-furyl}carbonyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

IUPAC name

7-{5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-amido}-3-{[(5-methyl-134-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES

Cc1nnc(SCC(CSC2C3NC(c4ccc(COc(cc(cc5)[N+]([O-])=O)c5Cl)o4)=O)=C(C(O)=O)N2C3=O)s1

InChI

InChI=1S/C23H18ClN5O8S3/c1-10-26-27-23(40-10)39-9-11-8-38-21-17(20(31)28(21)18(11)22(32)33)25-19(30)15-5-3-13(37-15)7-36-16-6-12(29(34)35)2-4-14(16)24/h2-6,17,21H,7-9H2,1H3,(H,25,30)(H,32,33)

InChI Key

YRDDWFKRJXETEX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.08

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

-2.172

Water Solubility, LogSw

-3.33

Polar Surface Area

140.655

Acid Dissociation Constant (pKa)

2.14

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.09

References: we are preparing a list of scientific research reports with Y502-4983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-4983?
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What is the minimum amount of Y502-4983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-4983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-4983
  • 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 Y502-4983 available by request