C355-1131 Screening compound: (6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-1131 Screening compound: (6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-1131 Screening compound: (6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1131
(6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-3-(propane-2-sulfonyl)-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

C355-1131

Molecular Formula

C19H15ClN4O4S2 (C19 H15 ClN4 O4 S2)

Compound Name

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

IUPAC name

(6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-3-(propane-2-sulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CC(C)S(C(N1C(/C2=C/c3ccc(-c(cccc4)c4Cl)o3)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C19H15ClN4O4S2/c1-10(2)30(26,27)19-23-29-18-22-17(25)13(16(21)24(18)19)9-11-7-8-15(28-11)12-5-3-4-6-14(12)20/h3-10,21H,1-2H3

InChI Key

JAVVMFBOJCYLRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.200

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-3.79

Polar Surface Area

88.613

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C355-1131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1131?
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What is the minimum amount of C355-1131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1131
  • 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 C355-1131 available by request