E769-0696 Screening compound: 1-(3-bromophenyl)-3-(2-methoxyethyl)-3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea

E769-0696 Screening compound: 1-(3-bromophenyl)-3-(2-methoxyethyl)-3-{[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}urea
E769-0696 Screening compound: 1-(3-bromophenyl)-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 E769-0696
1-(3-bromophenyl)-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

E769-0696

Molecular Formula

C24H24BrN3O2S (C24 H24 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(-c2cccs2)c(CN(CCOC)C(Nc2cccc(Br)c2)=O)c2c1cccc2

InChI

InChI=1S/C24H24BrN3O2S/c1-27-21-10-4-3-9-19(21)20(23(27)22-11-6-14-31-22)16-28(12-13-30-2)24(29)26-18-8-5-7-17(25)15-18/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,29)

InChI Key

CMZHTFNFRHJDAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.629

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-5.70

Polar Surface Area

35.649

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

E769-0696 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E769-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-0696?
Check Price and Availability of E769-0696, 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 E769-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-0696
  • 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 E769-0696 available by request