C777-0136 Screening compound: methyl 4-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate

C777-0136 Screening compound: methyl 4-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
C777-0136 Screening compound: methyl 4-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0136
methyl 4-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-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

C777-0136

Molecular Formula

C19H20N2O4 (C19 H20 N2 O4)

Compound Name

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

IUPAC name

methyl 4-{[(3-ethylphenyl)carbamoyl]methyl}-2-methyl-4H-furo[32-b]pyrrole-5-carboxylate

SMILES

CCc1cccc(NC(Cn(c(C(OC)=O)c2)c3c2oc(C)c3)=O)c1

InChI

InChI=1S/C19H20N2O4/c1-4-13-6-5-7-14(9-13)20-18(22)11-21-15-8-12(2)25-17(15)10-16(21)19(23)24-3/h5-10H,4,11H2,1-3H3,(H,20,22)

InChI Key

BVNOCSAYIRGBRF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.867

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-3.92

Polar Surface Area

53.002

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with C777-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0136?
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What is the minimum amount of C777-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0136
  • 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 C777-0136 available by request