K400-08507 Screening compound: 2-(2,4-dichlorophenoxy)-N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]acetamide

K400-08507 Screening compound: 2-(2,4-dichlorophenoxy)-N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]acetamide
K400-08507 Screening compound: 2-(2,4-dichlorophenoxy)-N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-08507
2-(2,4-dichlorophenoxy)-N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]acetamide

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

K400-08507

Molecular Formula

C27H22Cl2FN5O3S (C27 H22 Cl2 FN5 O3 S)

Compound Name

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

IUPAC name

2-(24-dichlorophenoxy)-N-[(5-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-124-triazol-3-yl)methyl]acetamide

SMILES

O=C(COc(ccc(Cl)c1)c1Cl)NCc(n1-c(cc2)ccc2F)nnc1SCC(N(CC1)c2c1cccc2)=O

InChI

InChI=1S/C27H22Cl2FN5O3S/c28-18-5-10-23(21(29)13-18)38-15-25(36)31-14-24-32-33-27(35(24)20-8-6-19(30)7-9-20)39-16-26(37)34-12-11-17-3-1-2-4-22(17)34/h1-10,13H,11-12,14-16H2,(H,31,36)

InChI Key

GLFBDTUXGYEGGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.47

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

4.621

Distribution Coefficient, logD

4.621

Water Solubility, LogSw

-4.72

Polar Surface Area

73.169

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

K400-08507 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K400-08507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-08507?
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What is the minimum amount of K400-08507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-08507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-08507
  • 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 K400-08507 available by request