C277-5770 Screening compound: 2-bromo-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-2-carboxylate

C277-5770 Screening compound: 2-bromo-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-2-carboxylate
C277-5770 Screening compound: 2-bromo-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C277-5770
2-bromo-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl 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

C277-5770

Molecular Formula

C20H15BrN4O5S2 (C20 H15 BrN4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCSC(N1C(/C2=C/c(cc3OC)cc(Br)c3OC(c3ccco3)=O)=N)=NSC1=NC2=O

InChI

InChI=1S/C20H15BrN4O5S2/c1-3-31-20-24-32-19-23-17(26)11(16(22)25(19)20)7-10-8-12(21)15(14(9-10)28-2)30-18(27)13-5-4-6-29-13/h4-9,22H,3H2,1-2H3

InChI Key

PORBMXOIZQKGCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.461

Water Solubility, LogSw

-3.86

Polar Surface Area

89.228

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C277-5770 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C277-5770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C277-5770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C277-5770
  • 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 C277-5770 available by request