8012-4656 Screening compound: 4-[1-(2-ethylhexyl)-1H-1,3-benzodiazol-2-yl]-1,2,5-oxadiazol-3-amine

8012-4656 Screening compound: 4-[1-(2-ethylhexyl)-1H-1,3-benzodiazol-2-yl]-1,2,5-oxadiazol-3-amine
8012-4656 Screening compound: 4-[1-(2-ethylhexyl)-1H-1,3-benzodiazol-2-yl]-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4656
4-[1-(2-ethylhexyl)-1H-1,3-benzodiazol-2-yl]-1,2,5-oxadiazol-3-amine

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

8012-4656

Molecular Formula

C17H23N5O (C17 H23 N5 O)

Compound Name

4-[1-(2-ethylhexyl)-1H-1,3-benzodiazol-2-yl]-1,2,5-oxadiazol-3-amine

IUPAC name

4-[1-(2-ethylhexyl)-1H-13-benzodiazol-2-yl]-125-oxadiazol-3-amine

SMILES

CCCCC(CC)Cn1c(-c2nonc2N)nc2c1cccc2

InChI

InChI=1S/C17H23N5O/c1-3-5-8-12(4-2)11-22-14-10-7-6-9-13(14)19-17(22)15-16(18)21-23-20-15/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H2,18,21)/t12-/m0/s1

InChI Key

QERYPZDMMYDWTF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03017761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

5.426

Water Solubility, LogSw

-5.60

Polar Surface Area

67.252

Acid Dissociation Constant (pKa)

18.37

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

8012-4656 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8012-4656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4656?
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What is the minimum amount of 8012-4656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4656
  • 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 8012-4656 available by request