3184-0468 Screening compound: 4-[(4-chlorophenyl)methoxy]-N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-3-methoxybenzamide

3184-0468 Screening compound: 4-[(4-chlorophenyl)methoxy]-N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-3-methoxybenzamide
3184-0468 Screening compound: 4-[(4-chlorophenyl)methoxy]-N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3184-0468
4-[(4-chlorophenyl)methoxy]-N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-3-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

3184-0468

Molecular Formula

C27H20ClFN4O3 (C27 H20 ClFN4 O3)

Compound Name

4-[(4-chlorophenyl)methoxy]-N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-3-methoxybenzamide

IUPAC name

4-[(4-chlorophenyl)methoxy]-N-[2-(4-fluorophenyl)-2H-123-benzotriazol-5-yl]-3-methoxybenzamide

SMILES

COc(cc(cc1)C(Nc2cc3nn(-c(cc4)ccc4F)nc3cc2)=O)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C27H20ClFN4O3/c1-35-26-14-18(4-13-25(26)36-16-17-2-5-19(28)6-3-17)27(34)30-21-9-12-23-24(15-21)32-33(31-23)22-10-7-20(29)8-11-22/h2-15H,16H2,1H3,(H,30,34)

InChI Key

ZZGMDYFTDXDSAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.084

Distribution Coefficient, logD

6.082

Water Solubility, LogSw

-6.29

Polar Surface Area

62.308

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

References: we are preparing a list of scientific research reports with 3184-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3184-0468?
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What is the minimum amount of 3184-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3184-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3184-0468
  • 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 3184-0468 available by request