E769-1360 Screening compound: ethyl 2-(1-{[({[1-ethyl-2-(2-thienyl)-1H-indol-3-yl]methyl}amino)carbonyl]amino}cyclohexyl)acetate

E769-1360 Screening compound: ethyl 2-(1-{[({[1-ethyl-2-(2-thienyl)-1H-indol-3-yl]methyl}amino)carbonyl]amino}cyclohexyl)acetate
E769-1360 Screening compound: ethyl 2-(1-{[({[1-ethyl-2-(2-thienyl)-1H-indol-3-yl]methyl}amino)carbonyl]amino}cyclohexyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1360
ethyl 2-(1-{[({[1-ethyl-2-(2-thienyl)-1H-indol-3-yl]methyl}amino)carbonyl]amino}cyclohexyl)acetate

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

E769-1360

Molecular Formula

C26H33N3O3S (C26 H33 N3 O3 S)

Compound Name

ethyl 2-(1-{[({[1-ethyl-2-(2-thienyl)-1H-indol-3-yl]methyl}amino)carbonyl]amino}cyclohexyl)acetate

IUPAC name

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

SMILES

CCn1c(-c2cccs2)c(CNC(NC2(CC(OCC)=O)CCCCC2)=O)c2c1cccc2

InChI

InChI=1S/C26H33N3O3S/c1-3-29-21-12-7-6-11-19(21)20(24(29)22-13-10-16-33-22)18-27-25(31)28-26(14-8-5-9-15-26)17-23(30)32-4-2/h6-7,10-13,16H,3-5,8-9,14-15,17-18H2,1-2H3,(H2,27,28,31)

InChI Key

XPBANBQZTVUJDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.63

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

5.543

Distribution Coefficient, logD

5.543

Water Solubility, LogSw

-5.52

Polar Surface Area

56.360

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

E769-1360 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 E769-1360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1360?
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What is the minimum amount of E769-1360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1360
  • 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 E769-1360 available by request