C355-0014 Screening compound: (6Z)-6-[(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0014 Screening compound: (6Z)-6-[(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0014 Screening compound: (6Z)-6-[(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0014
(6Z)-6-[(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

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

C355-0014

Molecular Formula

C25H26N4O5S2 (C25 H26 N4 O5 S2)

Compound Name

(6Z)-6-[(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-[(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-3-methanesulfonyl-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCC(C)c(cc1)ccc1OCCOc1ccc(/C=C(/C(N(C(S(C)(=O)=O)=NS2)C2=N2)=N)\C2=O)cc1

InChI

InChI=1S/C25H26N4O5S2/c1-4-16(2)18-7-11-20(12-8-18)34-14-13-33-19-9-5-17(6-10-19)15-21-22(26)29-24(27-23(21)30)35-28-25(29)36(3,31)32/h5-12,15-16,26H,4,13-14H2,1-3H3/t16-/m0/s1

InChI Key

OCDRTZGBGNVQEH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14750972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.941

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-3.96

Polar Surface Area

95.583

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

C355-0014 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C355-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0014?
Check Price and Availability of C355-0014, 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 C355-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0014
  • 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 C355-0014 available by request