C777-1027 Screening compound: methyl 4-{2-[benzyl(ethyl)amino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

C777-1027 Screening compound: methyl 4-{2-[benzyl(ethyl)amino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
C777-1027 Screening compound: methyl 4-{2-[benzyl(ethyl)amino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-1027
methyl 4-{2-[benzyl(ethyl)amino]-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

C777-1027

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

methyl 4-{2-[benzyl(ethyl)amino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

IUPAC name

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

SMILES

CCN(Cc1ccccc1)C(Cn(c(C(OC)=O)c1)c2c1scc2)=O

InChI

InChI=1S/C19H20N2O3S/c1-3-20(12-14-7-5-4-6-8-14)18(22)13-21-15-9-10-25-17(15)11-16(21)19(23)24-2/h4-11H,3,12-13H2,1-2H3

InChI Key

PYMJYWGNRFDPAN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-3.19

Polar Surface Area

38.565

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with C777-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-1027?
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What is the minimum amount of C777-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-1027
  • 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 C777-1027 available by request