C146-1175 Screening compound: (6Z)-6-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C146-1175 Screening compound: (6Z)-6-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C146-1175 Screening compound: (6Z)-6-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C146-1175
(6Z)-6-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-3-(ethylsulfanyl)-5-imino-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

C146-1175

Molecular Formula

C18H13ClN4O2S2 (C18 H13 ClN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCSC(N1C(/C2=C/c3ccc(-c4cccc(Cl)c4)o3)=N)=NSC1=NC2=O

InChI

InChI=1S/C18H13ClN4O2S2/c1-2-26-18-22-27-17-21-16(24)13(15(20)23(17)18)9-12-6-7-14(25-12)10-4-3-5-11(19)8-10/h3-9,20H,2H2,1H3

InChI Key

DDXZJCBXZMCCEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

4.337

Water Solubility, LogSw

-4.52

Polar Surface Area

60.038

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C146-1175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C146-1175?
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What is the minimum amount of C146-1175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C146-1175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-1175
  • 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 C146-1175 available by request