C355-1039 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

C355-1039 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate
C355-1039 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1039
2-ethoxy-4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 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

C355-1039

Molecular Formula

C23H22N4O7S2 (C23 H22 N4 O7 S2)

Compound Name

2-ethoxy-4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

IUPAC name

2-ethoxy-4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

SMILES

CCOc(cc(/C=C(/C(N(C(S(CC(C)C)(=O)=O)=NS1)C1=N1)=N)\C1=O)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C23H22N4O7S2/c1-4-32-18-11-14(7-8-16(18)34-21(29)17-6-5-9-33-17)10-15-19(24)27-22(25-20(15)28)35-26-23(27)36(30,31)12-13(2)3/h5-11,13,24H,4,12H2,1-3H3

InChI Key

QYLIAPNGELTSGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.58

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.512

Distribution Coefficient, logD

2.511

Water Solubility, LogSw

-2.97

Polar Surface Area

116.560

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C355-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1039?
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What is the minimum amount of C355-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1039
  • 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 C355-1039 available by request