E157-3510 Screening compound: N-{3-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-4-methoxybenzamide

E157-3510 Screening compound: N-{3-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-4-methoxybenzamide
E157-3510 Screening compound: N-{3-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-3510
N-{3-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-4-methoxybenzamide

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

E157-3510

Molecular Formula

C15H17N5O2S (C15 H17 N5 O2 S)

Compound Name

N-{3-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-4-methoxybenzamide

IUPAC name

N-{3-butyl-[124]triazolo[34-b][134]thiadiazol-6-yl}-4-methoxybenzamide

SMILES

CCCCc1nnc2sc(NC(c(cc3)ccc3OC)=O)nn12

InChI

InChI=1S/C15H17N5O2S/c1-3-4-5-12-17-18-15-20(12)19-14(23-15)16-13(21)10-6-8-11(22-2)9-7-10/h6-9H,3-5H2,1-2H3,(H,16,19,21)

InChI Key

YCLJKNNKDPZRMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843819

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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.815

Distribution Coefficient, logD

2.612

Water Solubility, LogSw

-3.41

Polar Surface Area

65.917

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E157-3510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-3510?
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What is the minimum amount of E157-3510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-3510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-3510
  • 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 E157-3510 available by request