Y502-4981 Screening compound: 7-[({5-[(4-methyl-2-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

Y502-4981 Screening compound: 7-[({5-[(4-methyl-2-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
Y502-4981 Screening compound: 7-[({5-[(4-methyl-2-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 Y502-4981
7-[({5-[(4-methyl-2-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

Y502-4981

Molecular Formula

C24H21N5O8S3 (C24 H21 N5 O8 S3)

Compound Name

7-[({5-[(4-methyl-2-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

3-{[(5-methyl-134-thiadiazol-2-yl)sulfanyl]methyl}-7-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-amido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES

Cc1nnc(SCC(CSC2C3NC(c4ccc(COc(ccc(C)c5)c5[N+]([O-])=O)o4)=O)=C(C(O)=O)N2C3=O)s1

InChI

InChI=1S/C24H21N5O8S3/c1-11-3-5-16(15(7-11)29(34)35)36-8-14-4-6-17(37-14)20(30)25-18-21(31)28-19(23(32)33)13(9-38-22(18)28)10-39-24-27-26-12(2)40-24/h3-7,18,22H,8-10H2,1-2H3,(H,25,30)(H,32,33)

InChI Key

FHYPGWMIPPZGGM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.66

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

2.632

Distribution Coefficient, logD

-2.630

Water Solubility, LogSw

-2.80

Polar Surface Area

140.354

Acid Dissociation Constant (pKa)

2.14

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.17

Y502-4981 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y502-4981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-4981?
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What is the minimum amount of Y502-4981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-4981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-4981
  • 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 Y502-4981 available by request