8019-4348 Screening compound: 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole

8019-4348 Screening compound: 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole
8019-4348 Screening compound: 1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4348
1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole

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

8019-4348

Molecular Formula

C15H14ClN3O (C15 H14 ClN3 O)

Compound Name

1-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole

IUPAC name

1-[5-(chloromethyl)-124-oxadiazol-3-yl]-2349-tetrahydro-1H-carbazole

SMILES

ClCc1nc(C(CCC2)c3c2c(cccc2)c2[nH]3)no1

InChI

InChI=1S/C15H14ClN3O/c16-8-13-18-15(19-20-13)11-6-3-5-10-9-4-1-2-7-12(9)17-14(10)11/h1-2,4,7,11,17H,3,5-6,8H2/t11-/m0/s1

InChI Key

IAQKLUQFGVTPPF-NSHDSACASA-N

MDL Number (MFCD)

MFCD09028382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.75

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-4.27

Polar Surface Area

41.712

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8019-4348 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-4348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4348?
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What is the minimum amount of 8019-4348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4348
  • 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 8019-4348 available by request