C918-0438 Screening compound: ethyl 4-{7-chloro-4H-thieno[3,2-c]thiochromene-2-amido}benzoate

C918-0438 Screening compound: ethyl 4-{7-chloro-4H-thieno[3,2-c]thiochromene-2-amido}benzoate
C918-0438 Screening compound: ethyl 4-{7-chloro-4H-thieno[3,2-c]thiochromene-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0438
ethyl 4-{7-chloro-4H-thieno[3,2-c]thiochromene-2-amido}benzoate

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

C918-0438

Molecular Formula

C21H16ClNO3S2 (C21 H16 ClNO3 S2)

Compound Name

ethyl 4-{7-chloro-4H-thieno[3,2-c]thiochromene-2-amido}benzoate

IUPAC name

ethyl 4-{7-chloro-4H-thieno[32-c]thiochromene-2-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1cc(CSc2c-3ccc(Cl)c2)c3s1)=O)=O

InChI

InChI=1S/C21H16ClNO3S2/c1-2-26-21(25)12-3-6-15(7-4-12)23-20(24)18-9-13-11-27-17-10-14(22)5-8-16(17)19(13)28-18/h3-10H,2,11H2,1H3,(H,23,24)

InChI Key

ZQRFFPWGKIJEKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.184

Distribution Coefficient, logD

6.184

Water Solubility, LogSw

-6.11

Polar Surface Area

44.751

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C918-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0438?
Check Price and Availability of C918-0438, 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 C918-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0438
  • 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 C918-0438 available by request