C277-4538 Screening compound: (6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C277-4538 Screening compound: (6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C277-4538 Screening compound: (6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C277-4538
(6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

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

C277-4538

Molecular Formula

C11H7BrN4O2S2 (C11 H7 BrN4 O2 S2)

Compound Name

(6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-3-(methylsulfanyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CSC(N1C(/C2=C/c(o3)ccc3Br)=N)=NSC1=NC2=O

InChI

InChI=1S/C11H7BrN4O2S2/c1-19-11-15-20-10-14-9(17)6(8(13)16(10)11)4-5-2-3-7(12)18-5/h2-4,13H,1H3

InChI Key

OSIYOZMUONJFPQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.143

Distribution Coefficient, logD

2.122

Water Solubility, LogSw

-2.62

Polar Surface Area

60.564

Acid Dissociation Constant (pKa)

38.14

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with C277-4538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C277-4538?
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What is the minimum amount of C277-4538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C277-4538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C277-4538
  • 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 C277-4538 available by request