E136-1755 Screening compound: 2-(1H-indol-3-yl)-N-(5-{[(4-methylphenyl)carbamoyl]methyl}-1,3,4-thiadiazol-2-yl)-2-oxoacetamide

E136-1755 Screening compound: 2-(1H-indol-3-yl)-N-(5-{[(4-methylphenyl)carbamoyl]methyl}-1,3,4-thiadiazol-2-yl)-2-oxoacetamide
E136-1755 Screening compound: 2-(1H-indol-3-yl)-N-(5-{[(4-methylphenyl)carbamoyl]methyl}-1,3,4-thiadiazol-2-yl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-1755
2-(1H-indol-3-yl)-N-(5-{[(4-methylphenyl)carbamoyl]methyl}-1,3,4-thiadiazol-2-yl)-2-oxoacetamide

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

E136-1755

Molecular Formula

C21H17N5O3S (C21 H17 N5 O3 S)

Compound Name

2-(1H-indol-3-yl)-N-(5-{[(4-methylphenyl)carbamoyl]methyl}-1,3,4-thiadiazol-2-yl)-2-oxoacetamide

IUPAC name

2-(1H-indol-3-yl)-N-(5-{[(4-methylphenyl)carbamoyl]methyl}-134-thiadiazol-2-yl)-2-oxoacetamide

SMILES

Cc(cc1)ccc1NC(Cc1nnc(NC(C(c2c[nH]c3c2cccc3)=O)=O)s1)=O

InChI

InChI=1S/C21H17N5O3S/c1-12-6-8-13(9-7-12)23-17(27)10-18-25-26-21(30-18)24-20(29)19(28)15-11-22-16-5-3-2-4-14(15)16/h2-9,11,22H,10H2,1H3,(H,23,27)(H,24,26,29)

InChI Key

YATZJQIARLUNBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

2.807

Water Solubility, LogSw

-4.00

Polar Surface Area

93.857

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E136-1755 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Covalent Inhibitors Library (7986 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E136-1755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-1755?
Check Price and Availability of E136-1755, 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 E136-1755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-1755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-1755
  • 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 E136-1755 available by request