3230-0631 Screening compound: 4-PHENYL-2-(3,4,5-TRIMETHOXYBENZAMIDO)THIOPHENE-3-CARBOXYLIC ACID

3230-0631 Screening compound: 4-PHENYL-2-(3,4,5-TRIMETHOXYBENZAMIDO)THIOPHENE-3-CARBOXYLIC ACID
3230-0631 Screening compound: 4-PHENYL-2-(3,4,5-TRIMETHOXYBENZAMIDO)THIOPHENE-3-CARBOXYLIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 3230-0631
4-PHENYL-2-(3,4,5-TRIMETHOXYBENZAMIDO)THIOPHENE-3-CARBOXYLIC ACID

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

3230-0631

Molecular Formula

C21H19NO6S (C21 H19 NO6 S)

Compound Name

4-PHENYL-2-(3,4,5-TRIMETHOXYBENZAMIDO)THIOPHENE-3-CARBOXYLIC ACID

IUPAC name

n/a

SMILES

COc1cc(C(Nc2c(C(O)=O)c(-c3ccccc3)cs2)=O)cc(OC)c1OC

InChI

InChI=1S/C21H19NO6S/c1-26-15-9-13(10-16(27-2)18(15)28-3)19(23)22-20-17(21(24)25)14(11-29-20)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,22,23)(H,24,25)

InChI Key

HPISDCRKAZJMAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01917169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

-0.442

Water Solubility, LogSw

-4.22

Polar Surface Area

74.238

Acid Dissociation Constant (pKa)

3.31

Base Dissociation Constant (pKb)

-10.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

3230-0631 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3230-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3230-0631?
Check Price and Availability of 3230-0631, 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 3230-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3230-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3230-0631
  • 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 3230-0631 available by request