C355-0902 Screening compound: 3-(5-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid

C355-0902 Screening compound: 3-(5-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid
C355-0902 Screening compound: 3-(5-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-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 C355-0902
3-(5-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-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

C355-0902

Molecular Formula

C21H18N4O6S2 (C21 H18 N4 O6 S2)

Compound Name

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

SMILES

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

InChI

InChI=1S/C21H18N4O6S2/c1-11(2)10-33(29,30)21-24-32-20-23-18(26)15(17(22)25(20)21)9-14-6-7-16(31-14)12-4-3-5-13(8-12)19(27)28/h3-9,11,22H,10H2,1-2H3,(H,27,28)

InChI Key

QXYGXRKWQCYYMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.161

Distribution Coefficient, logD

-0.352

Water Solubility, LogSw

-3.41

Polar Surface Area

116.285

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C355-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0902?
Check Price and Availability of C355-0902, 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 C355-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0902
  • 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 C355-0902 available by request