E769-0727 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

E769-0727 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea
E769-0727 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-0727
1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

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

E769-0727

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-(2-methoxyethyl)-3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

SMILES

Cn1c(-c2cccs2)c(CN(CCOC)C(Nc(cc2)cc3c2OCO3)=O)c2c1cccc2

InChI

InChI=1S/C25H25N3O4S/c1-27-20-7-4-3-6-18(20)19(24(27)23-8-5-13-33-23)15-28(11-12-30-2)25(29)26-17-9-10-21-22(14-17)32-16-31-21/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,26,29)

InChI Key

QLPLGZABDAYGEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.654

Distribution Coefficient, logD

4.654

Water Solubility, LogSw

-4.44

Polar Surface Area

52.765

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with E769-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-0727?
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What is the minimum amount of E769-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-0727
  • 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 E769-0727 available by request