E157-3016 Screening compound: N-{5-[(2,5-dimethyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}-3,4,5-triethoxybenzamide

E157-3016 Screening compound: N-{5-[(2,5-dimethyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}-3,4,5-triethoxybenzamide
E157-3016 Screening compound: N-{5-[(2,5-dimethyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-3016
N-{5-[(2,5-dimethyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}-3,4,5-triethoxybenzamide

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

E157-3016

Molecular Formula

C25H30N4O6S2 (C25 H30 N4 O6 S2)

Compound Name

N-{5-[(2,5-dimethyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}-3,4,5-triethoxybenzamide

IUPAC name

N-{5-[(25-dimethyl-23-dihydro-1H-indol-1-yl)sulfonyl]-134-thiadiazol-2-yl}-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc(s2)nnc2S(N(C(C)C2)c3c2cc(C)cc3)(=O)=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C25H30N4O6S2/c1-6-33-20-13-18(14-21(34-7-2)22(20)35-8-3)23(30)26-24-27-28-25(36-24)37(31,32)29-16(5)12-17-11-15(4)9-10-19(17)29/h9-11,13-14,16H,6-8,12H2,1-5H3,(H,26,27,30)/t16-/m0/s1

InChI Key

RXTGFOQAJASKGV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14843725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.124

Distribution Coefficient, logD

4.894

Water Solubility, LogSw

-4.99

Polar Surface Area

99.601

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-8.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

E157-3016 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E157-3016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-3016?
Check Price and Availability of E157-3016, 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 E157-3016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-3016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-3016
  • 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 E157-3016 available by request