D304-0029 Screening compound: methyl 5'-(3,4,5-trimethoxybenzamido)-[2,3'-bithiophene]-4'-carboxylate

D304-0029 Screening compound: methyl 5'-(3,4,5-trimethoxybenzamido)-[2,3'-bithiophene]-4'-carboxylate
D304-0029 Screening compound: methyl 5'-(3,4,5-trimethoxybenzamido)-[2,3'-bithiophene]-4'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D304-0029
methyl 5'-(3,4,5-trimethoxybenzamido)-[2,3'-bithiophene]-4'-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

D304-0029

Molecular Formula

C20H19NO6S2 (C20 H19 NO6 S2)

Compound Name

methyl 5'-(3,4,5-trimethoxybenzamido)-[2,3'-bithiophene]-4'-carboxylate

IUPAC name

methyl 5'-(345-trimethoxybenzamido)-[23'-bithiophene]-4'-carboxylate

SMILES

COC(c1c(NC(c(cc2OC)cc(OC)c2OC)=O)scc1-c1cccs1)=O

InChI

InChI=1S/C20H19NO6S2/c1-24-13-8-11(9-14(25-2)17(13)26-3)18(22)21-19-16(20(23)27-4)12(10-29-19)15-6-5-7-28-15/h5-10H,1-4H3,(H,21,22)

InChI Key

IAUBLRDIGPEBCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03066696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.777

Distribution Coefficient, logD

3.756

Water Solubility, LogSw

-4.18

Polar Surface Area

68.023

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D304-0029 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D304-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D304-0029?
Check Price and Availability of D304-0029, 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 D304-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D304-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D304-0029
  • 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 D304-0029 available by request