8013-5504 Screening compound: 4-(1H-indol-3-yl)-5-methyl-2-(3-pyridyl)-1,3-thiazole

8013-5504 Screening compound: 4-(1H-indol-3-yl)-5-methyl-2-(3-pyridyl)-1,3-thiazole
8013-5504 Screening compound: 4-(1H-indol-3-yl)-5-methyl-2-(3-pyridyl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5504
4-(1H-indol-3-yl)-5-methyl-2-(3-pyridyl)-1,3-thiazole

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

8013-5504

Molecular Formula

C17H13N3S (C17 H13 N3 S)

Compound Name

4-(1H-indol-3-yl)-5-methyl-2-(3-pyridyl)-1,3-thiazole

IUPAC name

3-[5-methyl-2-(pyridin-3-yl)-13-thiazol-4-yl]-1H-indole

SMILES

Cc1c(-c2c[nH]c3c2cccc3)nc(-c2cnccc2)s1

InChI

InChI=1S/C17H13N3S/c1-11-16(14-10-19-15-7-3-2-6-13(14)15)20-17(21-11)12-5-4-8-18-9-12/h2-10,19H,1H3

InChI Key

KZRKHUSYEKBIRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.159

Distribution Coefficient, logD

4.116

Water Solubility, LogSw

-4.10

Polar Surface Area

29.860

Acid Dissociation Constant (pKa)

18.32

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8013-5504 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-5504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5504?
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What is the minimum amount of 8013-5504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5504
  • 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 8013-5504 available by request