M486-0946 Screening compound: 4-tert-butyl-N-(2-{5-[(propan-2-yl)sulfamoyl]-1H-1,2,3-benzotriazol-1-yl}ethyl)benzamide

M486-0946 Screening compound: 4-tert-butyl-N-(2-{5-[(propan-2-yl)sulfamoyl]-1H-1,2,3-benzotriazol-1-yl}ethyl)benzamide
M486-0946 Screening compound: 4-tert-butyl-N-(2-{5-[(propan-2-yl)sulfamoyl]-1H-1,2,3-benzotriazol-1-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M486-0946
4-tert-butyl-N-(2-{5-[(propan-2-yl)sulfamoyl]-1H-1,2,3-benzotriazol-1-yl}ethyl)benzamide

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

M486-0946

Molecular Formula

C22H29N5O3S (C22 H29 N5 O3 S)

Compound Name

4-tert-butyl-N-(2-{5-[(propan-2-yl)sulfamoyl]-1H-1,2,3-benzotriazol-1-yl}ethyl)benzamide

IUPAC name

4-tert-butyl-N-(2-{5-[(propan-2-yl)sulfamoyl]-1H-123-benzotriazol-1-yl}ethyl)benzamide

SMILES

CC(C)NS(c(cc1)cc2c1n(CCNC(c1ccc(C(C)(C)C)cc1)=O)nn2)(=O)=O

InChI

InChI=1S/C22H29N5O3S/c1-15(2)25-31(29,30)18-10-11-20-19(14-18)24-26-27(20)13-12-23-21(28)16-6-8-17(9-7-16)22(3,4)5/h6-11,14-15,25H,12-13H2,1-5H3,(H,23,28)

InChI Key

AAWAEYPRHXOVEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.563

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.81

Polar Surface Area

91.387

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with M486-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M486-0946?
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What is the minimum amount of M486-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M486-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M486-0946
  • 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 M486-0946 available by request