8188-0814 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2,4-dimethylbenzamide

8188-0814 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2,4-dimethylbenzamide
8188-0814 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8188-0814
N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2,4-dimethylbenzamide

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

8188-0814

Molecular Formula

C24H24N4O (C24 H24 N4 O)

Compound Name

N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2,4-dimethylbenzamide

IUPAC name

N-[2-(4-ethylphenyl)-6-methyl-2H-123-benzotriazol-5-yl]-24-dimethylbenzamide

SMILES

CCc(cc1)ccc1-n1nc(cc(c(C)c2)NC(c3c(C)cc(C)cc3)=O)c2n1

InChI

InChI=1S/C24H24N4O/c1-5-18-7-9-19(10-8-18)28-26-22-13-17(4)21(14-23(22)27-28)25-24(29)20-11-6-15(2)12-16(20)3/h6-14H,5H2,1-4H3,(H,25,29)

InChI Key

KIJRLIPIFDYACV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04076358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.961

Distribution Coefficient, logD

5.860

Water Solubility, LogSw

-5.34

Polar Surface Area

46.666

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 8188-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8188-0814?
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What is the minimum amount of 8188-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8188-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8188-0814
  • 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 8188-0814 available by request