C356-0767 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl furan-2-carboxylate

C356-0767 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl furan-2-carboxylate
C356-0767 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0767
2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl furan-2-carboxylate

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

C356-0767

Molecular Formula

C21H17ClN4O7S2 (C21 H17 ClN4 O7 S2)

Compound Name

2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl furan-2-carboxylate

IUPAC name

2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl furan-2-carboxylate

SMILES

CCOc1cc(/C=C(\C(N(C(S2)=N3)N=C2S(CC)(=O)=O)=N)/C3=O)cc(Cl)c1OC(c1ccco1)=O

InChI

InChI=1S/C21H17ClN4O7S2/c1-3-31-15-10-11(9-13(22)16(15)33-19(28)14-6-5-7-32-14)8-12-17(23)26-20(24-18(12)27)34-21(25-26)35(29,30)4-2/h5-10,23H,3-4H2,1-2H3

InChI Key

IZKJYQGNZGPYEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.97

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.82

Polar Surface Area

120.178

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C356-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0767?
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What is the minimum amount of C356-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0767
  • 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 C356-0767 available by request