3729-2626 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide

3729-2626 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
3729-2626 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2626
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-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

3729-2626

Molecular Formula

C23H18N4O3 (C23 H18 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1nc(cc(cc2)NC(c3cc(cccc4)c4o3)=O)c2n1

InChI

InChI=1S/C23H18N4O3/c1-2-29-18-10-8-17(9-11-18)27-25-19-12-7-16(14-20(19)26-27)24-23(28)22-13-15-5-3-4-6-21(15)30-22/h3-14H,2H2,1H3,(H,24,28)

InChI Key

WKDUVIYVLFKPHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01828567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

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

5.620

Distribution Coefficient, logD

5.611

Water Solubility, LogSw

-6.05

Polar Surface Area

62.780

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3729-2626 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3729-2626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2626?
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What is the minimum amount of 3729-2626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2626
  • 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 3729-2626 available by request