4137-0164 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-(2,3-dichlorophenyl)acetamide

4137-0164 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
4137-0164 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-(2,3-dichlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4137-0164
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-(2,3-dichlorophenyl)acetamide

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

4137-0164

Molecular Formula

C17H12Cl2N6O2 (C17 H12 Cl2 N6 O2)

Compound Name

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-(2,3-dichlorophenyl)acetamide

IUPAC name

2-[2-(4-amino-125-oxadiazol-3-yl)-1H-13-benzodiazol-1-yl]-N-(23-dichlorophenyl)acetamide

SMILES

Nc1nonc1-c1nc(cccc2)c2n1CC(Nc1cccc(Cl)c1Cl)=O

InChI

InChI=1S/C17H12Cl2N6O2/c18-9-4-3-6-11(14(9)19)21-13(26)8-25-12-7-2-1-5-10(12)22-17(25)15-16(20)24-27-23-15/h1-7H,8H2,(H2,20,24)(H,21,26)

InChI Key

VKVMEMVGXBFPQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-4.19

Polar Surface Area

89.432

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4137-0164 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4137-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4137-0164?
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What is the minimum amount of 4137-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4137-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4137-0164
  • 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 4137-0164 available by request