Y502-1901 Screening compound: 7-[({5-[(2-bromophenoxy)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

Y502-1901 Screening compound: 7-[({5-[(2-bromophenoxy)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
Y502-1901 Screening compound: 7-[({5-[(2-bromophenoxy)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 Y502-1901
7-[({5-[(2-bromophenoxy)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

Y502-1901

Molecular Formula

C23H19BrN4O6S3 (C23 H19 BrN4 O6 S3)

Compound Name

7-[({5-[(2-bromophenoxy)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-bromophenoxy)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(cccc5)c5Br)o4)=O)=C(C(O)=O)N2C3=O)s1

InChI

InChI=1S/C23H19BrN4O6S3/c1-11-26-27-23(37-11)36-10-12-9-35-21-17(20(30)28(21)18(12)22(31)32)25-19(29)16-7-6-13(34-16)8-33-15-5-3-2-4-14(15)24/h2-7,17,21H,8-10H2,1H3,(H,25,29)(H,31,32)

InChI Key

WXVSYCYRIXCOJE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

623.53

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

3.114

Distribution Coefficient, logD

-2.147

Water Solubility, LogSw

-3.34

Polar Surface Area

107.273

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 Y502-1901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-1901?
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What is the minimum amount of Y502-1901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-1901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-1901
  • 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 Y502-1901 available by request