3871-0051 Screening compound: 4-tert-butyl-N-[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide

3871-0051 Screening compound: 4-tert-butyl-N-[4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
3871-0051 Screening compound: 4-tert-butyl-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 3871-0051
4-tert-butyl-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

3871-0051

Molecular Formula

C22H23N5O2 (C22 H23 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(-c2nonc2NC(c2ccc(C(C)(C)C)cc2)=O)nc2c1cccc2

InChI

InChI=1S/C22H23N5O2/c1-5-27-17-9-7-6-8-16(17)23-20(27)18-19(26-29-25-18)24-21(28)14-10-12-15(13-11-14)22(2,3)4/h6-13H,5H2,1-4H3,(H,24,26,28)

InChI Key

QPTWXAVLOZYPNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.877

Distribution Coefficient, logD

5.378

Water Solubility, LogSw

-5.62

Polar Surface Area

70.011

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3871-0051 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3871-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-0051?
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What is the minimum amount of 3871-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-0051
  • 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 3871-0051 available by request