E149-0205 Screening compound: N~7~-(2-chlorophenyl)-2-(4-fluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

E149-0205 Screening compound: N~7~-(2-chlorophenyl)-2-(4-fluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
E149-0205 Screening compound: N~7~-(2-chlorophenyl)-2-(4-fluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E149-0205
N~7~-(2-chlorophenyl)-2-(4-fluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

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

E149-0205

Molecular Formula

C22H14ClFN4O2S2 (C22 H14 ClFN4 O2 S2)

Compound Name

N~7~-(2-chlorophenyl)-2-(4-fluorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide

IUPAC name

N-(2-chlorophenyl)-12-(4-fluorophenyl)-4-methyl-2-oxo-610-dithia-1813-triazatricyclo[7.4.0.0^{37}]trideca-3(7)4812-tetraene-5-carboxamide

SMILES

Cc1c(C(Nc(cccc2)c2Cl)=O)sc(N=C2SCC(c(cc3)ccc3F)=NN22)c1C2=O

InChI

InChI=1S/C22H14ClFN4O2S2/c1-11-17-20(32-18(11)19(29)25-15-5-3-2-4-14(15)23)26-22-28(21(17)30)27-16(10-31-22)12-6-8-13(24)9-7-12/h2-9H,10H2,1H3,(H,25,29)

InChI Key

HDYCZPBIXPIARZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.621

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.89

Polar Surface Area

59.859

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

E149-0205 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E149-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E149-0205?
Check Price and Availability of E149-0205, 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 E149-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E149-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E149-0205
  • 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 E149-0205 available by request