C277-5800 Screening compound: 2-bromo-6-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

C277-5800 Screening compound: 2-bromo-6-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate
C277-5800 Screening compound: 2-bromo-6-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-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 C277-5800
2-bromo-6-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-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

C277-5800

Molecular Formula

C21H17BrN4O5S2 (C21 H17 BrN4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(/C=C(/C(N(C(SCC)=NS2)C2=N2)=N)\C2=O)cc(Br)c1OC(c1ccco1)=O

InChI

InChI=1S/C21H17BrN4O5S2/c1-3-29-15-10-11(9-13(22)16(15)31-19(28)14-6-5-7-30-14)8-12-17(23)26-20(24-18(12)27)33-25-21(26)32-4-2/h5-10,23H,3-4H2,1-2H3

InChI Key

JYIBFWOPAMWFGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-4.06

Polar Surface Area

88.808

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C277-5800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C277-5800?
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What is the minimum amount of C277-5800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C277-5800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C277-5800
  • 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 C277-5800 available by request