L447-0209 Screening compound: 3-{2-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}-1-[(3-methoxyphenyl)methyl]urea

L447-0209 Screening compound: 3-{2-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}-1-[(3-methoxyphenyl)methyl]urea
L447-0209 Screening compound: 3-{2-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}-1-[(3-methoxyphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L447-0209
3-{2-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}-1-[(3-methoxyphenyl)methyl]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

L447-0209

Molecular Formula

C19H24N6O4S (C19 H24 N6 O4 S)

Compound Name

3-{2-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}-1-[(3-methoxyphenyl)methyl]urea

IUPAC name

3-{2-[5-(dimethylsulfamoyl)-1H-123-benzotriazol-1-yl]ethyl}-1-[(3-methoxyphenyl)methyl]urea

SMILES

CN(C)S(c(cc1)cc2c1n(CCNC(NCc1cc(OC)ccc1)=O)nn2)(=O)=O

InChI

InChI=1S/C19H24N6O4S/c1-24(2)30(27,28)16-7-8-18-17(12-16)22-23-25(18)10-9-20-19(26)21-13-14-5-4-6-15(11-14)29-3/h4-8,11-12H,9-10,13H2,1-3H3,(H2,20,21,26)

InChI Key

RDYRGBUAHFBPMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27252985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.046

Distribution Coefficient, logD

1.046

Water Solubility, LogSw

-2.42

Polar Surface Area

101.911

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

L447-0209 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L447-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L447-0209?
Check Price and Availability of L447-0209, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L447-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L447-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L447-0209
  • 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 L447-0209 available by request