L447-0301 Screening compound: 1-(5-chloro-2-methylphenyl)-3-(2-{5-[(propan-2-yl)sulfamoyl]-1H-1,2,3-benzotriazol-1-yl}ethyl)urea

L447-0301 Screening compound: 1-(5-chloro-2-methylphenyl)-3-(2-{5-[(propan-2-yl)sulfamoyl]-1H-1,2,3-benzotriazol-1-yl}ethyl)urea
L447-0301 Screening compound: 1-(5-chloro-2-methylphenyl)-3-(2-{5-[(propan-2-yl)sulfamoyl]-1H-1,2,3-benzotriazol-1-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L447-0301
1-(5-chloro-2-methylphenyl)-3-(2-{5-[(propan-2-yl)sulfamoyl]-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

L447-0301

Molecular Formula

C19H23ClN6O3S (C19 H23 ClN6 O3 S)

Compound Name

1-(5-chloro-2-methylphenyl)-3-(2-{5-[(propan-2-yl)sulfamoyl]-1H-1,2,3-benzotriazol-1-yl}ethyl)urea

IUPAC name

1-(5-chloro-2-methylphenyl)-3-(2-{5-[(propan-2-yl)sulfamoyl]-1H-123-benzotriazol-1-yl}ethyl)urea

SMILES

CC(C)NS(c(cc1)cc2c1n(CCNC(Nc1c(C)ccc(Cl)c1)=O)nn2)(=O)=O

InChI

InChI=1S/C19H23ClN6O3S/c1-12(2)24-30(28,29)15-6-7-18-17(11-15)23-25-26(18)9-8-21-19(27)22-16-10-14(20)5-4-13(16)3/h4-7,10-12,24H,8-9H2,1-3H3,(H2,21,22,27)

InChI Key

JKCUCIDQKLPJCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.670

Distribution Coefficient, logD

2.669

Water Solubility, LogSw

-3.58

Polar Surface Area

99.901

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with L447-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L447-0301?
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What is the minimum amount of L447-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L447-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L447-0301
  • 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 L447-0301 available by request