E157-4867 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide

E157-4867 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide
E157-4867 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4867
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide

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

E157-4867

Molecular Formula

C21H21N5O4S (C21 H21 N5 O4 S)

Compound Name

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

IUPAC name

N-[3-(34-dimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-2-phenoxybutanamide

SMILES

CCC(C(Nc(s1)nn2c1nnc2-c(cc1)cc(OC)c1OC)=O)Oc1ccccc1

InChI

InChI=1S/C21H21N5O4S/c1-4-15(30-14-8-6-5-7-9-14)19(27)22-20-25-26-18(23-24-21(26)31-20)13-10-11-16(28-2)17(12-13)29-3/h5-12,15H,4H2,1-3H3,(H,22,25,27)/t15-/m0/s1

InChI Key

ZZSZCSCVWGVSAL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14844057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-4.01

Polar Surface Area

79.058

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with E157-4867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4867?
Check Price and Availability of E157-4867, 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 E157-4867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4867
  • 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 E157-4867 available by request