C277-5739 Screening compound: 2-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate

C277-5739 Screening compound: 2-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate
C277-5739 Screening compound: 2-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-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 C277-5739
2-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-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

C277-5739

Molecular Formula

C21H18N4O4S3 (C21 H18 N4 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=C(/C(N(C(SCC)=NS1)C1=N1)=N)\C1=O)cc1)c1OC(c1cccs1)=O

InChI

InChI=1S/C21H18N4O4S3/c1-3-28-15-11-12(7-8-14(15)29-19(27)16-6-5-9-31-16)10-13-17(22)25-20(23-18(13)26)32-24-21(25)30-4-2/h5-11,22H,3-4H2,1-2H3

InChI Key

UFDXWQVRCNMFIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-4.03

Polar Surface Area

81.161

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 C277-5739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C277-5739?
Check Price and Availability of C277-5739, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C277-5739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C277-5739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C277-5739
  • 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 C277-5739 available by request