C356-1284 Screening compound: 2-(4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)acetic acid

C356-1284 Screening compound: 2-(4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)acetic acid
C356-1284 Screening compound: 2-(4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-1284
2-(4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)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

C356-1284

Molecular Formula

C18H18N4O6S2 (C18 H18 N4 O6 S2)

Compound Name

2-(4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}phenoxy)acetic acid

SMILES

CC(C)CS(C(SC1=NC(/C2=C/c(cc3)ccc3OCC(O)=O)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C18H18N4O6S2/c1-10(2)9-30(26,27)18-21-22-15(19)13(16(25)20-17(22)29-18)7-11-3-5-12(6-4-11)28-8-14(23)24/h3-7,10,19H,8-9H2,1-2H3,(H,23,24)

InChI Key

OAKRCZZUVKYRHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.863

Distribution Coefficient, logD

-2.374

Water Solubility, LogSw

-2.58

Polar Surface Area

119.721

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C356-1284 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C356-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-1284?
Check Price and Availability of C356-1284, 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 C356-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-1284
  • 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 C356-1284 available by request