4999-2662 Screening compound: ethyl 2-[(5E)-5-{[2,5-dimethyl-1-(4-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

4999-2662 Screening compound: ethyl 2-[(5E)-5-{[2,5-dimethyl-1-(4-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
4999-2662 Screening compound: ethyl 2-[(5E)-5-{[2,5-dimethyl-1-(4-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4999-2662
ethyl 2-[(5E)-5-{[2,5-dimethyl-1-(4-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

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

4999-2662

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

ethyl 2-[(5E)-5-{[2,5-dimethyl-1-(4-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

IUPAC name

ethyl 2-[(5E)-5-{[25-dimethyl-1-(4-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-24-dioxo-13-thiazolidin-3-yl]propanoate

SMILES

CCOC(C(C)N(C(/C(/S1)=C\c(cc2C)c(C)n2-c2nccc(C)c2)=O)C1=O)=O

InChI

InChI=1S/C21H23N3O4S/c1-6-28-20(26)15(5)24-19(25)17(29-21(24)27)11-16-10-13(3)23(14(16)4)18-9-12(2)7-8-22-18/h7-11,15H,6H2,1-5H3/t15-/m0/s1

InChI Key

IEVOVCUIGLZUKK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03271507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.543

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-3.56

Polar Surface Area

61.138

Acid Dissociation Constant (pKa)

20.32

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4999-2662 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4999-2662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4999-2662?
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What is the minimum amount of 4999-2662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4999-2662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4999-2662
  • 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 4999-2662 available by request