8188-0501 Screening compound: N-[2-(4-butylphenyl)-6-chloro-2H-1,2,3-benzotriazol-5-yl]-4-methoxybenzamide

8188-0501 Screening compound: N-[2-(4-butylphenyl)-6-chloro-2H-1,2,3-benzotriazol-5-yl]-4-methoxybenzamide
8188-0501 Screening compound: N-[2-(4-butylphenyl)-6-chloro-2H-1,2,3-benzotriazol-5-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8188-0501
N-[2-(4-butylphenyl)-6-chloro-2H-1,2,3-benzotriazol-5-yl]-4-methoxybenzamide

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

8188-0501

Molecular Formula

C24H23ClN4O2 (C24 H23 ClN4 O2)

Compound Name

N-[2-(4-butylphenyl)-6-chloro-2H-1,2,3-benzotriazol-5-yl]-4-methoxybenzamide

IUPAC name

N-[2-(4-butylphenyl)-6-chloro-2H-123-benzotriazol-5-yl]-4-methoxybenzamide

SMILES

CCCCc(cc1)ccc1-n1nc(cc(c(NC(c(cc2)ccc2OC)=O)c2)Cl)c2n1

InChI

InChI=1S/C24H23ClN4O2/c1-3-4-5-16-6-10-18(11-7-16)29-27-22-14-20(25)21(15-23(22)28-29)26-24(30)17-8-12-19(31-2)13-9-17/h6-15H,3-5H2,1-2H3,(H,26,30)

InChI Key

XLGOGFOMTRXKRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03849115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.774

Distribution Coefficient, logD

6.409

Water Solubility, LogSw

-6.49

Polar Surface Area

54.210

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

8188-0501 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8188-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8188-0501?
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What is the minimum amount of 8188-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8188-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8188-0501
  • 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 8188-0501 available by request