3153-0868 Screening compound: 5-bromo-N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide

3153-0868 Screening compound: 5-bromo-N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide
3153-0868 Screening compound: 5-bromo-N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3153-0868
5-bromo-N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide

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

3153-0868

Molecular Formula

C25H19BrN4O2 (C25 H19 BrN4 O2)

Compound Name

5-bromo-N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]naphthalene-1-carboxamide

IUPAC name

5-bromo-N-[2-(4-ethoxyphenyl)-2H-123-benzotriazol-5-yl]naphthalene-1-carboxamide

SMILES

CCOc(cc1)ccc1-n1nc(cc(cc2)NC(c3c(cccc4Br)c4ccc3)=O)c2n1

InChI

InChI=1S/C25H19BrN4O2/c1-2-32-18-12-10-17(11-13-18)30-28-23-14-9-16(15-24(23)29-30)27-25(31)21-7-3-6-20-19(21)5-4-8-22(20)26/h3-15H,2H2,1H3,(H,27,31)

InChI Key

FRCCUBNTTBYTBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02173955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.408

Distribution Coefficient, logD

6.408

Water Solubility, LogSw

-6.01

Polar Surface Area

54.216

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

3153-0868 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3153-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3153-0868?
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What is the minimum amount of 3153-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3153-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3153-0868
  • 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 3153-0868 available by request