C370-5626 Screening compound: 2-[(5Z)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

C370-5626 Screening compound: 2-[(5Z)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
C370-5626 Screening compound: 2-[(5Z)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-5626
2-[(5Z)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-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

C370-5626

Molecular Formula

C16H11N3O5S2 (C16 H11 N3 O5 S2)

Compound Name

2-[(5Z)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5Z)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

[O-][N+](c1cccc(-n2c(/C=C(/C(N3CC(O)=O)=O)\SC3=S)ccc2)c1)=O

InChI

InChI=1S/C16H11N3O5S2/c20-14(21)9-18-15(22)13(26-16(18)25)8-11-5-2-6-17(11)10-3-1-4-12(7-10)19(23)24/h1-8H,9H2,(H,20,21)

InChI Key

BDYOIRNCIOZFRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.035

Distribution Coefficient, logD

-1.084

Water Solubility, LogSw

-2.43

Polar Surface Area

81.009

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C370-5626 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C370-5626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-5626?
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What is the minimum amount of C370-5626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-5626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-5626
  • 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 C370-5626 available by request