7525-1028 Screening compound: 1-(2-methyl-1H-indol-3-yl)-2-({4-phenyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

7525-1028 Screening compound: 1-(2-methyl-1H-indol-3-yl)-2-({4-phenyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
7525-1028 Screening compound: 1-(2-methyl-1H-indol-3-yl)-2-({4-phenyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7525-1028
1-(2-methyl-1H-indol-3-yl)-2-({4-phenyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

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

7525-1028

Molecular Formula

C24H20N4OS2 (C24 H20 N4 OS2)

Compound Name

1-(2-methyl-1H-indol-3-yl)-2-({4-phenyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

IUPAC name

1-(2-methyl-1H-indol-3-yl)-2-({4-phenyl-5-[(thiophen-2-yl)methyl]-4H-124-triazol-3-yl}sulfanyl)ethan-1-one

SMILES

Cc1c(C(CSc2nnc(Cc3cccs3)n2-c2ccccc2)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C24H20N4OS2/c1-16-23(19-11-5-6-12-20(19)25-16)21(29)15-31-24-27-26-22(14-18-10-7-13-30-18)28(24)17-8-3-2-4-9-17/h2-13,25H,14-15H2,1H3

InChI Key

AWMQDHRZKDUBPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05844501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.56

Polar Surface Area

49.880

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

7525-1028 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7525-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7525-1028?
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What is the minimum amount of 7525-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7525-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7525-1028
  • 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 7525-1028 available by request