E769-1260 Screening compound: ethyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]-3-phenylpropanoate

E769-1260 Screening compound: ethyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]-3-phenylpropanoate
E769-1260 Screening compound: ethyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1260
ethyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]-3-phenylpropanoate

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

E769-1260

Molecular Formula

C26H27N3O3S (C26 H27 N3 O3 S)

Compound Name

ethyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]-3-phenylpropanoate

IUPAC name

ethyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]-3-phenylpropanoate

SMILES

CCOC(CC(c1ccccc1)NC(NCc1c(-c2cccs2)n(C)c2c1cccc2)=O)=O

InChI

InChI=1S/C26H27N3O3S/c1-3-32-24(30)16-21(18-10-5-4-6-11-18)28-26(31)27-17-20-19-12-7-8-13-22(19)29(2)25(20)23-14-9-15-33-23/h4-15,21H,3,16-17H2,1-2H3,(H2,27,28,31)/t21-/m0/s1

InChI Key

YEIKHJYPPXUNJW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27601547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

4.832

Water Solubility, LogSw

-4.67

Polar Surface Area

57.033

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

E769-1260 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 E769-1260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1260?
Check Price and Availability of E769-1260, 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 E769-1260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1260
  • 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 E769-1260 available by request