E157-4291 Screening compound: N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutanamide

E157-4291 Screening compound: N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutanamide
E157-4291 Screening compound: N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4291
N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutanamide

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

E157-4291

Molecular Formula

C15H17N5O2S (C15 H17 N5 O2 S)

Compound Name

N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbutanamide

IUPAC name

N-[3-(4-methoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-3-methylbutanamide

SMILES

CC(C)CC(Nc(s1)nn2c1nnc2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C15H17N5O2S/c1-9(2)8-12(21)16-14-19-20-13(17-18-15(20)23-14)10-4-6-11(22-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,16,19,21)

InChI Key

OZJDWDWINAWWJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.45

Polar Surface Area

64.727

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E157-4291 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with E157-4291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4291?
Check Price and Availability of E157-4291, 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 E157-4291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4291
  • 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 E157-4291 available by request