A0062288 Screening compound: N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-thiophenecarboxamide

A0062288 Screening compound: N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-thiophenecarboxamide
A0062288 Screening compound: N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062288
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-thiophenecarboxamide

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

A0062288

Molecular Formula

C26H25N5O3S2 (C26 H25 N5 O3 S2)

Compound Name

N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-thiophenecarboxamide

IUPAC name

N-[(5-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-124-triazol-3-yl)methyl]thiophene-2-carboxamide

SMILES

CCOc(cc1)ccc1-n1c(SCC(N(CC2)c3c2cccc3)=O)nnc1CNC(c1cccs1)=O

InChI

InChI=1S/C26H25N5O3S2/c1-2-34-20-11-9-19(10-12-20)31-23(16-27-25(33)22-8-5-15-35-22)28-29-26(31)36-17-24(32)30-14-13-18-6-3-4-7-21(18)30/h3-12,15H,2,13-14,16-17H2,1H3,(H,27,33)

InChI Key

VQDRIMHGXDAQTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-3.81

Polar Surface Area

73.939

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

A0062288 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with A0062288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062288?
Check Price and Availability of A0062288, 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 A0062288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062288
  • 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 A0062288 available by request