8018-9577 Screening compound: 2-[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

8018-9577 Screening compound: 2-[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
8018-9577 Screening compound: 2-[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9577
2-[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

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

8018-9577

Molecular Formula

C20H23N5O4 (C20 H23 N5 O4)

Compound Name

2-[5-(3-ethoxy-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

2-[5-(3-ethoxy-4-methoxyphenyl)-2H-1234-tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

CCOc(cc(cc1)-c2nn(CC(NCc(cc3)ccc3OC)=O)nn2)c1OC

InChI

InChI=1S/C20H23N5O4/c1-4-29-18-11-15(7-10-17(18)28-3)20-22-24-25(23-20)13-19(26)21-12-14-5-8-16(27-2)9-6-14/h5-11H,4,12-13H2,1-3H3,(H,21,26)

InChI Key

UTKLFWUSABXVJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.127

Distribution Coefficient, logD

2.127

Water Solubility, LogSw

-2.91

Polar Surface Area

85.198

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8018-9577 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 8018-9577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9577?
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What is the minimum amount of 8018-9577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9577
  • 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 8018-9577 available by request