4004-0177 Screening compound: 2-chloro-N-[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide

4004-0177 Screening compound: 2-chloro-N-[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
4004-0177 Screening compound: 2-chloro-N-[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4004-0177
2-chloro-N-[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide

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

4004-0177

Molecular Formula

C18H14ClN5O2 (C18 H14 ClN5 O2)

Compound Name

2-chloro-N-[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide

IUPAC name

2-chloro-N-[4-(1-ethyl-1H-13-benzodiazol-2-yl)-125-oxadiazol-3-yl]benzamide

SMILES

CCn1c(-c2nonc2NC(c(cccc2)c2Cl)=O)nc2c1cccc2

InChI

InChI=1S/C18H14ClN5O2/c1-2-24-14-10-6-5-9-13(14)20-17(24)15-16(23-26-22-15)21-18(25)11-7-3-4-8-12(11)19/h3-10H,2H2,1H3,(H,21,23,25)

InChI Key

FTRJVRYKTMVRGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02577377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.538

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-4.57

Polar Surface Area

70.011

Acid Dissociation Constant (pKa)

6.23

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4004-0177 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4004-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4004-0177?
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What is the minimum amount of 4004-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4004-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4004-0177
  • 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 4004-0177 available by request