Y502-4971 Screening compound: 3-[(acetyloxy)methyl]-7-[({5-[(3-methylphenoxy)methyl]-2-furyl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Y502-4971 Screening compound: 3-[(acetyloxy)methyl]-7-[({5-[(3-methylphenoxy)methyl]-2-furyl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Y502-4971 Screening compound: 3-[(acetyloxy)methyl]-7-[({5-[(3-methylphenoxy)methyl]-2-furyl}carbonyl)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 Y502-4971
3-[(acetyloxy)methyl]-7-[({5-[(3-methylphenoxy)methyl]-2-furyl}carbonyl)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

Y502-4971

Molecular Formula

C23H22N2O8S (C23 H22 N2 O8 S)

Compound Name

3-[(acetyloxy)methyl]-7-[({5-[(3-methylphenoxy)methyl]-2-furyl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

IUPAC name

3-[(acetyloxy)methyl]-7-{5-[(3-methylphenoxy)methyl]furan-2-amido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES

CC(OCC(CSC1C2NC(c3ccc(COc4cc(C)ccc4)o3)=O)=C(C(O)=O)N1C2=O)=O

InChI

InChI=1S/C23H22N2O8S/c1-12-4-3-5-15(8-12)32-10-16-6-7-17(33-16)20(27)24-18-21(28)25-19(23(29)30)14(9-31-13(2)26)11-34-22(18)25/h3-8,18,22H,9-11H2,1-2H3,(H,24,27)(H,29,30)

InChI Key

WNUDHLROLGSOAX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.412

Distribution Coefficient, logD

-3.215

Water Solubility, LogSw

-2.47

Polar Surface Area

106.017

Acid Dissociation Constant (pKa)

2.44

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with Y502-4971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-4971?
Check Price and Availability of Y502-4971, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y502-4971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-4971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-4971
  • 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 Y502-4971 available by request