C301-3861 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-(chloromethyl)-1,3,4-oxadiazole

C301-3861 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-(chloromethyl)-1,3,4-oxadiazole
C301-3861 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-(chloromethyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3861
2-(2H-1,3-benzodioxol-5-yl)-5-(chloromethyl)-1,3,4-oxadiazole

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

C301-3861

Molecular Formula

C10H7ClN2O3 (C10 H7 ClN2 O3)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-5-(chloromethyl)-1,3,4-oxadiazole

IUPAC name

2-(2H-13-benzodioxol-5-yl)-5-(chloromethyl)-134-oxadiazole

SMILES

ClCc1nnc(-c(cc2)cc3c2OCO3)o1

InChI

InChI=1S/C10H7ClN2O3/c11-4-9-12-13-10(16-9)6-1-2-7-8(3-6)15-5-14-7/h1-3H,4-5H2

InChI Key

XHPQNABADLFREZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09041991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.960

Distribution Coefficient, logD

1.960

Water Solubility, LogSw

-2.21

Polar Surface Area

47.535

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C301-3861 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-3861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3861?
Check Price and Availability of C301-3861, 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 C301-3861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3861
  • 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 C301-3861 available by request