5628-0697 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-9H-xanthene-9-carboxamide

5628-0697 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-9H-xanthene-9-carboxamide
5628-0697 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5628-0697
N-(5-cyclohexyl-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

5628-0697

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

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

IUPAC name

N-(5-cyclohexyl-134-thiadiazol-2-yl)-9H-xanthene-9-carboxamide

SMILES

O=C(C1c(cccc2)c2Oc2c1cccc2)Nc1nnc(C2CCCCC2)s1

InChI

InChI=1S/C22H21N3O2S/c26-20(23-22-25-24-21(28-22)14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)27-18-13-7-5-11-16(18)19/h4-7,10-14,19H,1-3,8-9H2,(H,23,25,26)

InChI Key

XTQPBBGBLFMGDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03073676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.283

Distribution Coefficient, logD

-1.726

Water Solubility, LogSw

-5.42

Polar Surface Area

53.609

Acid Dissociation Constant (pKa)

0.39

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

5628-0697 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5628-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5628-0697?
Check Price and Availability of 5628-0697, 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 5628-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5628-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5628-0697
  • 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 5628-0697 available by request