6563-1064 Screening compound: 3-(4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-3-(4-methoxyphenyl)-1H-pyrazol-1-yl)propanoic acid

6563-1064 Screening compound: 3-(4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-3-(4-methoxyphenyl)-1H-pyrazol-1-yl)propanoic acid
6563-1064 Screening compound: 3-(4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-3-(4-methoxyphenyl)-1H-pyrazol-1-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6563-1064
3-(4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-3-(4-methoxyphenyl)-1H-pyrazol-1-yl)propanoic 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

6563-1064

Molecular Formula

C17H16N4O4S (C17 H16 N4 O4 S)

Compound Name

3-(4-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-3-(4-methoxyphenyl)-1H-pyrazol-1-yl)propanoic acid

IUPAC name

3-(4-{[(5Z)-2-imino-4-oxo-13-thiazolidin-5-ylidene]methyl}-3-(4-methoxyphenyl)-1H-pyrazol-1-yl)propanoic acid

SMILES

COc(cc1)ccc1-c1nn(CCC(O)=O)cc1/C=C(/C(N1)=O)\SC1=N

InChI

InChI=1S/C17H16N4O4S/c1-25-12-4-2-10(3-5-12)15-11(8-13-16(24)19-17(18)26-13)9-21(20-15)7-6-14(22)23/h2-5,8-9H,6-7H2,1H3,(H,22,23)(H2,18,19,24)

InChI Key

NUSAWMHEBBSACJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05716497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.346

Distribution Coefficient, logD

-2.475

Water Solubility, LogSw

-2.01

Polar Surface Area

93.472

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 6563-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6563-1064?
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What is the minimum amount of 6563-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6563-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6563-1064
  • 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 6563-1064 available by request