C790-0014 Screening compound: methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate

C790-0014 Screening compound: methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
C790-0014 Screening compound: methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C790-0014
methyl 3-(1H-pyrrol-1-yl)thiophene-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

C790-0014

Molecular Formula

C10H9NO2S (C10 H9 NO2 S)

Compound Name

methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate

IUPAC name

methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate

SMILES

COC(c(scc1)c1-n1cccc1)=O

InChI

InChI=1S/C10H9NO2S/c1-13-10(12)9-8(4-7-14-9)11-5-2-3-6-11/h2-7H,1H3

InChI Key

FYNQCKPHPLFYDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00053052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-2.84

Polar Surface Area

26.116

Acid Dissociation Constant (pKa)

34.68

Base Dissociation Constant (pKb)

-5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C790-0014 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C790-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C790-0014?
Check Price and Availability of C790-0014, 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 C790-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C790-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C790-0014
  • 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 C790-0014 available by request