C355-0071 Screening compound: (6Z)-6-{[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0071 Screening compound: (6Z)-6-{[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0071 Screening compound: (6Z)-6-{[5-(3-chloro-4-methylphenyl)furan-2-yl]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 C355-0071
(6Z)-6-{[5-(3-chloro-4-methylphenyl)furan-2-yl]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

C355-0071

Molecular Formula

C18H13ClN4O4S2 (C18 H13 ClN4 O4 S2)

Compound Name

(6Z)-6-{[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-{[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}-5-imino-3-methanesulfonyl-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

Cc(ccc(-c1ccc(/C=C(/C(N(C(S(C)(=O)=O)=NS2)C2=N2)=N)\C2=O)o1)c1)c1Cl

InChI

InChI=1S/C18H13ClN4O4S2/c1-9-3-4-10(7-13(9)19)14-6-5-11(27-14)8-12-15(20)23-17(21-16(12)24)28-22-18(23)29(2,25)26/h3-8,20H,1-2H3

InChI Key

VKIFJJUBLJNSNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.842

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-3.66

Polar Surface Area

88.589

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C355-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0071?
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What is the minimum amount of C355-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0071
  • 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 C355-0071 available by request