C277-4712 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 3-methoxybenzoate

C277-4712 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 3-methoxybenzoate
C277-4712 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C277-4712
4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 3-methoxybenzoate

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

C277-4712

Molecular Formula

C22H18N4O5S2 (C22 H18 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(Oc(ccc(/C=C(/C(N(C(SC)=NS2)C2=N2)=N)\C2=O)c2)c2OC)=O)c1

InChI

InChI=1S/C22H18N4O5S2/c1-29-14-6-4-5-13(11-14)20(28)31-16-8-7-12(10-17(16)30-2)9-15-18(23)26-21(24-19(15)27)33-25-22(26)32-3/h4-11,23H,1-3H3

InChI Key

RGKUGSMRAOMHHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.54

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

3.113

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.52

Polar Surface Area

88.106

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with C277-4712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C277-4712?
Check Price and Availability of C277-4712, 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 C277-4712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C277-4712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C277-4712
  • 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 C277-4712 available by request