L790-0225 Screening compound: N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]pentanamide

L790-0225 Screening compound: N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]pentanamide
L790-0225 Screening compound: N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L790-0225
N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]pentanamide

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

L790-0225

Molecular Formula

C17H17N5O4S2 (C17 H17 N5 O4 S2)

Compound Name

N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]pentanamide

IUPAC name

N-[5-({[5-(2H-13-benzodioxol-5-yl)-134-oxadiazol-2-yl]methyl}sulfanyl)-134-thiadiazol-2-yl]pentanamide

SMILES

CCCCC(Nc1nnc(SCc2nnc(-c(cc3)cc4c3OCO4)o2)s1)=O

InChI

InChI=1S/C17H17N5O4S2/c1-2-3-4-13(23)18-16-21-22-17(28-16)27-8-14-19-20-15(26-14)10-5-6-11-12(7-10)25-9-24-11/h5-7H,2-4,8-9H2,1H3,(H,18,21,23)

InChI Key

UIBVGKXNOXQZOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

3.610

Water Solubility, LogSw

-3.73

Polar Surface Area

93.319

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

L790-0225 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with L790-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L790-0225?
Check Price and Availability of L790-0225, 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 L790-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L790-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L790-0225
  • 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 L790-0225 available by request