5298-0468 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide

5298-0468 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide
5298-0468 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5298-0468
N-[5-(2-methylpropyl)-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

5298-0468

Molecular Formula

C20H19N3O2S (C20 H19 N3 O2 S)

Compound Name

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide

IUPAC name

N-[5-(2-methylpropyl)-134-thiadiazol-2-yl]-9H-xanthene-9-carboxamide

SMILES

CC(C)Cc1nnc(NC(C2c(cccc3)c3Oc3c2cccc3)=O)s1

InChI

InChI=1S/C20H19N3O2S/c1-12(2)11-17-22-23-20(26-17)21-19(24)18-13-7-3-5-9-15(13)25-16-10-6-4-8-14(16)18/h3-10,12,18H,11H2,1-2H3,(H,21,23,24)

InChI Key

BXFCEXNIAQJSPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03351919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.46

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

4.753

Distribution Coefficient, logD

-2.256

Water Solubility, LogSw

-4.52

Polar Surface Area

54.183

Acid Dissociation Constant (pKa)

0.39

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5298-0468 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5298-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5298-0468?
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What is the minimum amount of 5298-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5298-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5298-0468
  • 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 5298-0468 available by request