5298-0464 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide

5298-0464 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide
5298-0464 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5298-0464
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-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

5298-0464

Molecular Formula

C23H16ClN3O2S (C23 H16 ClN3 O2 S)

Compound Name

N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-9H-xanthene-9-carboxamide

IUPAC name

N-{5-[(4-chlorophenyl)methyl]-134-thiadiazol-2-yl}-9H-xanthene-9-carboxamide

SMILES

O=C(C1c(cccc2)c2Oc2c1cccc2)Nc1nnc(Cc(cc2)ccc2Cl)s1

InChI

InChI=1S/C23H16ClN3O2S/c24-15-11-9-14(10-12-15)13-20-26-27-23(30-20)25-22(28)21-16-5-1-3-7-18(16)29-19-8-4-2-6-17(19)21/h1-12,21H,13H2,(H,25,27,28)

InChI Key

KRHDBJIJVAWNMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03351915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.92

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

5.523

Distribution Coefficient, logD

-1.485

Water Solubility, LogSw

-6.08

Polar Surface Area

53.912

Acid Dissociation Constant (pKa)

0.39

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

5298-0464 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 5298-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5298-0464?
Check Price and Availability of 5298-0464, 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 5298-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5298-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5298-0464
  • 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 5298-0464 available by request