C355-1136 Screening compound: 3-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid

C355-1136 Screening compound: 3-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid
C355-1136 Screening compound: 3-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1136
3-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic 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

C355-1136

Molecular Formula

C20H16N4O6S2 (C20 H16 N4 O6 S2)

Compound Name

3-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

3-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CC(C)S(C(N1C(/C2=C/c3ccc(-c4cc(C(O)=O)ccc4)o3)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C20H16N4O6S2/c1-10(2)32(28,29)20-23-31-19-22-17(25)14(16(21)24(19)20)9-13-6-7-15(30-13)11-4-3-5-12(8-11)18(26)27/h3-10,21H,1-2H3,(H,26,27)

InChI Key

GGEGUVDQDOFFES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.628

Distribution Coefficient, logD

-0.885

Water Solubility, LogSw

-2.93

Polar Surface Area

117.021

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C355-1136 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C355-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1136?
Check Price and Availability of C355-1136, 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 C355-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1136
  • 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 C355-1136 available by request