C356-0101 Screening compound: (6E)-6-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0101 Screening compound: (6E)-6-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0101 Screening compound: (6E)-6-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0101
(6E)-6-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-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

C356-0101

Molecular Formula

C21H18N4O5S2 (C21 H18 N4 O5 S2)

Compound Name

(6E)-6-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-6-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-imino-2-methanesulfonyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

COc(cc(/C=C(\C(N(C(S1)=N2)N=C1S(C)(=O)=O)=N)/C2=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C21H18N4O5S2/c1-29-17-11-14(8-9-16(17)30-12-13-6-4-3-5-7-13)10-15-18(22)25-20(23-19(15)26)31-21(24-25)32(2,27)28/h3-11,22H,12H2,1-2H3

InChI Key

OFEMWPUIJDLMBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.078

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-2.83

Polar Surface Area

99.496

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C356-0101 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 C356-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0101?
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What is the minimum amount of C356-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0101
  • 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 C356-0101 available by request