Y502-0938 Screening compound: 3-[(acetyloxy)methyl]-7-{[3-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Y502-0938 Screening compound: 3-[(acetyloxy)methyl]-7-{[3-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Y502-0938 Screening compound: 3-[(acetyloxy)methyl]-7-{[3-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoyl]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 Y502-0938
3-[(acetyloxy)methyl]-7-{[3-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoyl]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

Y502-0938

Molecular Formula

C17H19N5O8S (C17 H19 N5 O8 S)

Compound Name

3-[(acetyloxy)methyl]-7-{[3-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

IUPAC name

3-[(acetyloxy)methyl]-7-[3-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES

CC(OCC(CSC1C2NC(CCn3nc(C)c([N+]([O-])=O)c3)=O)=C(C(O)=O)N1C2=O)=O

InChI

InChI=1S/C17H19N5O8S/c1-8-11(22(28)29)5-20(19-8)4-3-12(24)18-13-15(25)21-14(17(26)27)10(6-30-9(2)23)7-31-16(13)21/h5,13,16H,3-4,6-7H2,1-2H3,(H,18,24)(H,26,27)

InChI Key

JBWNOAKPTCJDCS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.43

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

-0.721

Distribution Coefficient, logD

-6.347

Water Solubility, LogSw

-1.75

Polar Surface Area

138.924

Acid Dissociation Constant (pKa)

2.44

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

References: we are preparing a list of scientific research reports with Y502-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-0938?
Check Price and Availability of Y502-0938, 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 Y502-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-0938
  • 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 Y502-0938 available by request