C777-0045 Screening compound: methyl 4-[2-(ethylanilino)-2-oxoethyl]-4H-furo[3,2-b]pyrrole-5-carboxylate

C777-0045 Screening compound: methyl 4-[2-(ethylanilino)-2-oxoethyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
C777-0045 Screening compound: methyl 4-[2-(ethylanilino)-2-oxoethyl]-4H-furo[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0045
methyl 4-[2-(ethylanilino)-2-oxoethyl]-4H-furo[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

C777-0045

Molecular Formula

C18H18N2O4 (C18 H18 N2 O4)

Compound Name

methyl 4-[2-(ethylanilino)-2-oxoethyl]-4H-furo[3,2-b]pyrrole-5-carboxylate

IUPAC name

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

SMILES

CCN(C(Cn(c(C(OC)=O)c1)c2c1occ2)=O)c1ccccc1

InChI

InChI=1S/C18H18N2O4/c1-3-19(13-7-5-4-6-8-13)17(21)12-20-14-9-10-24-16(14)11-15(20)18(22)23-2/h4-11H,3,12H2,1-2H3

InChI Key

MXTNDQBBQHHREM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.506

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-2.69

Polar Surface Area

45.430

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

C777-0045 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C777-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0045?
Check Price and Availability of C777-0045, 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 C777-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0045
  • 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 C777-0045 available by request