5625-0091 Screening compound: 2-[(2E)-2-[(2E)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

5625-0091 Screening compound: 2-[(2E)-2-[(2E)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
5625-0091 Screening compound: 2-[(2E)-2-[(2E)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5625-0091
2-[(2E)-2-[(2E)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic 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

5625-0091

Molecular Formula

C11H12N4O3S (C11 H12 N4 O3 S)

Compound Name

2-[(2E)-2-[(2E)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

IUPAC name

2-[(2E)-2-[(2E)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-13-thiazolidin-5-yl]acetic acid

SMILES

Cn1c(/C=N/N=C(\N2)/SC(CC(O)=O)C2=O)ccc1

InChI

InChI=1S/C11H12N4O3S/c1-15-4-2-3-7(15)6-12-14-11-13-10(18)8(19-11)5-9(16)17/h2-4,6,8H,5H2,1H3,(H,16,17)(H,13,14,18)/t8-/m0/s1

InChI Key

HTLORNYFSYVJGF-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03321320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.810

Distribution Coefficient, logD

-1.976

Water Solubility, LogSw

-2.25

Polar Surface Area

75.972

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 5625-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5625-0091?
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What is the minimum amount of 5625-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5625-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5625-0091
  • 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 5625-0091 available by request