Y502-6426 Screening compound: 7-[(2-methylbenzoyl)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

Y502-6426 Screening compound: 7-[(2-methylbenzoyl)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
Y502-6426 Screening compound: 7-[(2-methylbenzoyl)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 Y502-6426
7-[(2-methylbenzoyl)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

Y502-6426

Molecular Formula

C19H18N4O4S3 (C19 H18 N4 O4 S3)

Compound Name

7-[(2-methylbenzoyl)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

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

SMILES

Cc1nnc(SCC(CSC2C3NC(c4c(C)cccc4)=O)=C(C(O)=O)N2C3=O)s1

InChI

InChI=1S/C19H18N4O4S3/c1-9-5-3-4-6-12(9)15(24)20-13-16(25)23-14(18(26)27)11(7-28-17(13)23)8-29-19-22-21-10(2)30-19/h3-6,13,17H,7-8H2,1-2H3,(H,20,24)(H,26,27)

InChI Key

WMJNLXQKEXPOMY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.936

Distribution Coefficient, logD

-3.325

Water Solubility, LogSw

-2.63

Polar Surface Area

92.118

Acid Dissociation Constant (pKa)

2.14

Base Dissociation Constant (pKb)

-8.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.58

References: we are preparing a list of scientific research reports with Y502-6426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6426?
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What is the minimum amount of Y502-6426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6426
  • 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 Y502-6426 available by request