E769-1424 Screening compound: methyl 3-[({[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]benzoate

E769-1424 Screening compound: methyl 3-[({[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]benzoate
E769-1424 Screening compound: methyl 3-[({[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1424
methyl 3-[({[1-benzyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]benzoate

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

E769-1424

Molecular Formula

C29H25N3O3S (C29 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cccc(NC(NCc2c(-c3cccs3)n(Cc3ccccc3)c3c2cccc3)=O)c1)=O

InChI

InChI=1S/C29H25N3O3S/c1-35-28(33)21-11-7-12-22(17-21)31-29(34)30-18-24-23-13-5-6-14-25(23)32(19-20-9-3-2-4-10-20)27(24)26-15-8-16-36-26/h2-17H,18-19H2,1H3,(H2,30,31,34)

InChI Key

GHPRIBYVJXKOPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.002

Distribution Coefficient, logD

7.002

Water Solubility, LogSw

-6.01

Polar Surface Area

56.014

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

E769-1424 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E769-1424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1424?
Check Price and Availability of E769-1424, 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 E769-1424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1424
  • 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 E769-1424 available by request