C918-0394 Screening compound: 7-chloro-N-(4-phenylbutan-2-yl)-4H-thieno[3,2-c]thiochromene-2-carboxamide

C918-0394 Screening compound: 7-chloro-N-(4-phenylbutan-2-yl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
C918-0394 Screening compound: 7-chloro-N-(4-phenylbutan-2-yl)-4H-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0394
7-chloro-N-(4-phenylbutan-2-yl)-4H-thieno[3,2-c]thiochromene-2-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

C918-0394

Molecular Formula

C22H20ClNOS2 (C22 H20 ClNOS2)

Compound Name

7-chloro-N-(4-phenylbutan-2-yl)-4H-thieno[3,2-c]thiochromene-2-carboxamide

IUPAC name

7-chloro-N-(4-phenylbutan-2-yl)-4H-thieno[32-c]thiochromene-2-carboxamide

SMILES

CC(CCc1ccccc1)NC(c1cc(CSc2c-3ccc(Cl)c2)c3s1)=O

InChI

InChI=1S/C22H20ClNOS2/c1-14(7-8-15-5-3-2-4-6-15)24-22(25)20-11-16-13-26-19-12-17(23)9-10-18(19)21(16)27-20/h2-6,9-12,14H,7-8,13H2,1H3,(H,24,25)/t14-/m0/s1

InChI Key

MXMMFFVBDYMSSH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14808566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.040

Distribution Coefficient, logD

6.040

Water Solubility, LogSw

-6.00

Polar Surface Area

24.761

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C918-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0394?
Check Price and Availability of C918-0394, 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 C918-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0394
  • 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 C918-0394 available by request