C790-0025 Screening compound: methyl 4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

C790-0025 Screening compound: methyl 4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
C790-0025 Screening compound: methyl 4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C790-0025
methyl 4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-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

C790-0025

Molecular Formula

C19H18N2O5S (C19 H18 N2 O5 S)

Compound Name

methyl 4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

IUPAC name

methyl 4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-4H-thieno[32-b]pyrrole-5-carboxylate

SMILES

CCOC(c(cc1)ccc1NC(Cn(c(C(OC)=O)c1)c2c1scc2)=O)=O

InChI

InChI=1S/C19H18N2O5S/c1-3-26-18(23)12-4-6-13(7-5-12)20-17(22)11-21-14-8-9-27-16(14)10-15(21)19(24)25-2/h4-10H,3,11H2,1-2H3,(H,20,22)

InChI Key

JJUHBAXQQUTMJH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

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

3.757

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-4.06

Polar Surface Area

66.788

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with C790-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C790-0025?
Check Price and Availability of C790-0025, 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 C790-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C790-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C790-0025
  • 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 C790-0025 available by request