Y040-9495 Screening compound: N~5~-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide

Y040-9495 Screening compound: N~5~-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide
Y040-9495 Screening compound: N~5~-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9495
N~5~-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)-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

Y040-9495

Molecular Formula

C19H17N3O2S (C19 H17 N3 O2 S)

Compound Name

N~5~-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carboxamide

IUPAC name

n/a

SMILES

COc(cc1)ccc1-c1c(C(NC(C2)Cc3c2cccc3)=O)snn1

InChI

InChI=1S/C19H17N3O2S/c1-24-16-8-6-12(7-9-16)17-18(25-22-21-17)19(23)20-15-10-13-4-2-3-5-14(13)11-15/h2-9,15H,10-11H2,1H3,(H,20,23)

InChI Key

QMVFIBGRWUTOTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13758549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.877

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-4.08

Polar Surface Area

54.381

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

Y040-9495 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y040-9495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9495?
Check Price and Availability of Y040-9495, 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 Y040-9495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9495
  • 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 Y040-9495 available by request