E157-2618 Screening compound: N-[5-(2,3-dihydro-1H-indole-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-4-ethoxybenzamide

E157-2618 Screening compound: N-[5-(2,3-dihydro-1H-indole-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-4-ethoxybenzamide
E157-2618 Screening compound: N-[5-(2,3-dihydro-1H-indole-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-2618
N-[5-(2,3-dihydro-1H-indole-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-4-ethoxybenzamide

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

E157-2618

Molecular Formula

C19H18N4O4S2 (C19 H18 N4 O4 S2)

Compound Name

N-[5-(2,3-dihydro-1H-indole-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-4-ethoxybenzamide

IUPAC name

N-[5-(23-dihydro-1H-indole-1-sulfonyl)-134-thiadiazol-2-yl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(Nc(s1)nnc1S(N(CC1)c2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C19H18N4O4S2/c1-2-27-15-9-7-14(8-10-15)17(24)20-18-21-22-19(28-18)29(25,26)23-12-11-13-5-3-4-6-16(13)23/h3-10H,2,11-12H2,1H3,(H,20,21,24)

InChI Key

XMJXVJVEWQYGFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

2.682

Water Solubility, LogSw

-3.88

Polar Surface Area

85.291

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

-8.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E157-2618 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E157-2618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-2618?
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What is the minimum amount of E157-2618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-2618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-2618
  • 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 E157-2618 available by request