8013-5505 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-5-methyl-1,3-thiazole

8013-5505 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-5-methyl-1,3-thiazole
8013-5505 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-5-methyl-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5505
2-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-5-methyl-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

8013-5505

Molecular Formula

C20H18N2O2S (C20 H18 N2 O2 S)

Compound Name

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

IUPAC name

3-[2-(34-dimethoxyphenyl)-5-methyl-13-thiazol-4-yl]-1H-indole

SMILES

Cc1c(-c2c[nH]c3c2cccc3)nc(-c(cc2)cc(OC)c2OC)s1

InChI

InChI=1S/C20H18N2O2S/c1-12-19(15-11-21-16-7-5-4-6-14(15)16)22-20(25-12)13-8-9-17(23-2)18(10-13)24-3/h4-11,21H,1-3H3

InChI Key

IBPZCYUALAQTTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.088

Distribution Coefficient, logD

5.088

Water Solubility, LogSw

-5.09

Polar Surface Area

35.603

Acid Dissociation Constant (pKa)

18.32

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

8013-5505 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8013-5505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5505?
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What is the minimum amount of 8013-5505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5505
  • 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 8013-5505 available by request