C277-4789 Screening compound: 2-bromo-6-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate

C277-4789 Screening compound: 2-bromo-6-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate
C277-4789 Screening compound: 2-bromo-6-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C277-4789
2-bromo-6-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-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

C277-4789

Molecular Formula

C20H15BrN4O4S3 (C20 H15 BrN4 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(/C=C(/C(N(C(SC)=NS2)C2=N2)=N)\C2=O)cc(Br)c1OC(c1cccs1)=O

InChI

InChI=1S/C20H15BrN4O4S3/c1-3-28-13-9-10(8-12(21)15(13)29-18(27)14-5-4-6-31-14)7-11-16(22)25-19(23-17(11)26)32-24-20(25)30-2/h4-9,22H,3H2,1-2H3

InChI Key

KSOKKLJMEHCQNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.063

Water Solubility, LogSw

-4.27

Polar Surface Area

81.248

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C277-4789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C277-4789?
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What is the minimum amount of C277-4789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C277-4789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C277-4789
  • 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 C277-4789 available by request