C356-0172 Screening compound: (6E)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0172 Screening compound: (6E)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0172 Screening compound: (6E)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}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 C356-0172
(6E)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}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

C356-0172

Molecular Formula

C23H21ClN4O6S2 (C23 H21 ClN4 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=C(\C(N(C(S1)=N2)N=C1S(C)(=O)=O)=N)/C2=O)cc1)c1OCCOc(cccc1)c1Cl

InChI

InChI=1S/C23H21ClN4O6S2/c1-3-32-19-13-14(8-9-18(19)34-11-10-33-17-7-5-4-6-16(17)24)12-15-20(25)28-22(26-21(15)29)35-23(27-28)36(2,30)31/h4-9,12-13,25H,3,10-11H2,1-2H3

InChI Key

KFFJRKUZXGZHAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.03

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.541

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-3.49

Polar Surface Area

106.499

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C356-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0172?
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What is the minimum amount of C356-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0172
  • 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 C356-0172 available by request