Y042-5954 Screening compound: N~5~-(1-isopropyl-1H-indol-4-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide

Y042-5954 Screening compound: N~5~-(1-isopropyl-1H-indol-4-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
Y042-5954 Screening compound: N~5~-(1-isopropyl-1H-indol-4-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5954
N~5~-(1-isopropyl-1H-indol-4-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide

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

Y042-5954

Molecular Formula

C15H16N4OS (C15 H16 N4 OS)

Compound Name

N~5~-(1-isopropyl-1H-indol-4-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide

IUPAC name

4-methyl-N-[1-(propan-2-yl)-1H-indol-4-yl]-123-thiadiazole-5-carboxamide

SMILES

CC(C)n1c2cccc(NC(c3c(C)nns3)=O)c2cc1

InChI

InChI=1S/C15H16N4OS/c1-9(2)19-8-7-11-12(5-4-6-13(11)19)16-15(20)14-10(3)17-18-21-14/h4-9H,1-3H3,(H,16,20)

InChI Key

BQAWDSASQWSTCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23139018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.635

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-3.13

Polar Surface Area

47.977

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

Y042-5954 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y042-5954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5954?
Check Price and Availability of Y042-5954, 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 Y042-5954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5954
  • 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 Y042-5954 available by request