L447-0276 Screening compound: 1-cyclohexyl-3-{2-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea

L447-0276 Screening compound: 1-cyclohexyl-3-{2-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea
L447-0276 Screening compound: 1-cyclohexyl-3-{2-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L447-0276
1-cyclohexyl-3-{2-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea

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

L447-0276

Molecular Formula

C19H30N6O3S (C19 H30 N6 O3 S)

Compound Name

1-cyclohexyl-3-{2-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}urea

IUPAC name

1-cyclohexyl-3-{2-[5-(diethylsulfamoyl)-1H-123-benzotriazol-1-yl]ethyl}urea

SMILES

CCN(CC)S(c(cc1)cc2c1n(CCNC(NC1CCCCC1)=O)nn2)(=O)=O

InChI

InChI=1S/C19H30N6O3S/c1-3-24(4-2)29(27,28)16-10-11-18-17(14-16)22-23-25(18)13-12-20-19(26)21-15-8-6-5-7-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3,(H2,20,21,26)

InChI Key

HHDVKJSABFYMDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.128

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-2.85

Polar Surface Area

91.525

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

L447-0276 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L447-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L447-0276?
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What is the minimum amount of L447-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L447-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L447-0276
  • 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 L447-0276 available by request