C794-0411 Screening compound: 2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-(2-fluorophenyl)butanamide

C794-0411 Screening compound: 2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-(2-fluorophenyl)butanamide
C794-0411 Screening compound: 2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-(2-fluorophenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0411
2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-(2-fluorophenyl)butanamide

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

C794-0411

Molecular Formula

C20H19FN4OS2 (C20 H19 FN4 OS2)

Compound Name

2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-(2-fluorophenyl)butanamide

IUPAC name

2-({12-ethyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)-N-(2-fluorophenyl)butanamide

SMILES

CCC(C(Nc(cccc1)c1F)=O)Sc1nnc(CC)n2c1cc1c2ccs1

InChI

InChI=1S/C20H19FN4OS2/c1-3-16(19(26)22-13-8-6-5-7-12(13)21)28-20-15-11-17-14(9-10-27-17)25(15)18(4-2)23-24-20/h5-11,16H,3-4H2,1-2H3,(H,22,26)/t16-/m0/s1

InChI Key

OSBFWCZBEZFKNL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14796210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.797

Distribution Coefficient, logD

4.790

Water Solubility, LogSw

-4.50

Polar Surface Area

44.979

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C794-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0411?
Check Price and Availability of C794-0411, 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 C794-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0411
  • 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 C794-0411 available by request