8005-8965 Screening compound: ethyl 3,7-bis(4-nitrobenzamido)-1-benzothiophene-2-carboxylate

8005-8965 Screening compound: ethyl 3,7-bis(4-nitrobenzamido)-1-benzothiophene-2-carboxylate
8005-8965 Screening compound: ethyl 3,7-bis(4-nitrobenzamido)-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-8965
ethyl 3,7-bis(4-nitrobenzamido)-1-benzothiophene-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

8005-8965

Molecular Formula

C25H18N4O8S (C25 H18 N4 O8 S)

Compound Name

ethyl 3,7-bis(4-nitrobenzamido)-1-benzothiophene-2-carboxylate

IUPAC name

ethyl 37-bis(4-nitrobenzamido)-1-benzothiophene-2-carboxylate

SMILES

CCOC(c(sc(c1ccc2)c2NC(c(cc2)ccc2[N+]([O-])=O)=O)c1NC(c(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C25H18N4O8S/c1-2-37-25(32)22-20(27-24(31)15-8-12-17(13-9-15)29(35)36)18-4-3-5-19(21(18)38-22)26-23(30)14-6-10-16(11-7-14)28(33)34/h3-13H,2H2,1H3,(H,26,30)(H,27,31)

InChI Key

DGQUJHMISBUYDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.51

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

3.851

Water Solubility, LogSw

-4.36

Polar Surface Area

132.591

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 8005-8965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-8965?
Check Price and Availability of 8005-8965, 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 8005-8965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-8965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-8965
  • 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 8005-8965 available by request