8289-4141 Screening compound: 5-bromo-2-methoxy-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methylbenzamide

8289-4141 Screening compound: 5-bromo-2-methoxy-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methylbenzamide
8289-4141 Screening compound: 5-bromo-2-methoxy-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8289-4141
5-bromo-2-methoxy-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methylbenzamide

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

8289-4141

Molecular Formula

C23H21BrN4O3 (C23 H21 BrN4 O3)

Compound Name

5-bromo-2-methoxy-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methylbenzamide

IUPAC name

5-bromo-2-methoxy-N-[2-(4-methoxyphenyl)-6-methyl-2H-123-benzotriazol-5-yl]-3-methylbenzamide

SMILES

Cc1cc2nn(-c(cc3)ccc3OC)nc2cc1NC(c(cc(cc1C)Br)c1OC)=O

InChI

InChI=1S/C23H21BrN4O3/c1-13-10-20-21(27-28(26-20)16-5-7-17(30-3)8-6-16)12-19(13)25-23(29)18-11-15(24)9-14(2)22(18)31-4/h5-12H,1-4H3,(H,25,29)

InChI Key

JZDSJGNUQTYJFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05797820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.795

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-5.60

Polar Surface Area

61.927

Acid Dissociation Constant (pKa)

5.90

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8289-4141 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8289-4141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8289-4141?
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What is the minimum amount of 8289-4141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8289-4141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8289-4141
  • 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 8289-4141 available by request