Y502-0602 Screening compound: diethyl 5-{[2-({4-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate

Y502-0602 Screening compound: diethyl 5-{[2-({4-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate
Y502-0602 Screening compound: diethyl 5-{[2-({4-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-0602
diethyl 5-{[2-({4-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate

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

Y502-0602

Molecular Formula

C28H29N5O6S2 (C28 H29 N5 O6 S2)

Compound Name

diethyl 5-{[2-({4-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate

IUPAC name

24-diethyl 5-(2-{[(4E)-4-[(13-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-45-dihydro-1H-imidazol-2-yl]sulfanyl}acetamido)-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(CSC(N(C2=O)c3ccccc3)=N/C2=C/c2cn(C)nc2C)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C28H29N5O6S2/c1-6-38-26(36)22-16(3)23(27(37)39-7-2)41-24(22)30-21(34)15-40-28-29-20(13-18-14-32(5)31-17(18)4)25(35)33(28)19-11-9-8-10-12-19/h8-14H,6-7,15H2,1-5H3,(H,30,34)

InChI Key

GEEGREGMXLHVKQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.7

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.292

Distribution Coefficient, logD

1.726

Water Solubility, LogSw

-3.48

Polar Surface Area

104.963

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y502-0602 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y502-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-0602?
Check Price and Availability of Y502-0602, 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 Y502-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-0602
  • 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 Y502-0602 available by request