C726-2163 Screening compound: 4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate

C726-2163 Screening compound: 4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate
C726-2163 Screening compound: 4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C726-2163
4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-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

C726-2163

Molecular Formula

C21H17N5O4S2 (C21 H17 N5 O4 S2)

Compound Name

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

IUPAC name

4-{[(6E)-5-imino-2-(morpholin-4-yl)-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate

SMILES

N=C(/C1=C\c(cc2)ccc2OC(c2cccs2)=O)N2N=C(N3CCOCC3)SC2=NC1=O

InChI

InChI=1S/C21H17N5O4S2/c22-17-15(12-13-3-5-14(6-4-13)30-19(28)16-2-1-11-31-16)18(27)23-20-26(17)24-21(32-20)25-7-9-29-10-8-25/h1-6,11-12,22H,7-10H2

InChI Key

RYMZSPXNRDZPHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

0.100

Water Solubility, LogSw

-2.92

Polar Surface Area

87.359

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C726-2163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C726-2163?
Check Price and Availability of C726-2163, 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 C726-2163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C726-2163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C726-2163
  • 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 C726-2163 available by request