8014-8949 Screening compound: N~1~-(4-methoxyphenyl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)-N~1~-(1-phenylethyl)acetamide

8014-8949 Screening compound: N~1~-(4-methoxyphenyl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)-N~1~-(1-phenylethyl)acetamide
8014-8949 Screening compound: N~1~-(4-methoxyphenyl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)-N~1~-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8949
N~1~-(4-methoxyphenyl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)-N~1~-(1-phenylethyl)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

8014-8949

Molecular Formula

C21H22N4O4 (C21 H22 N4 O4)

Compound Name

N~1~-(4-methoxyphenyl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)-N~1~-(1-phenylethyl)acetamide

IUPAC name

N-(4-methoxyphenyl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)N(C(Cn1c([N+]([O-])=O)cnc1C)=O)c(cc1)ccc1OC

InChI

InChI=1S/C21H22N4O4/c1-15(17-7-5-4-6-8-17)24(18-9-11-19(29-3)12-10-18)21(26)14-23-16(2)22-13-20(23)25(27)28/h4-13,15H,14H2,1-3H3/t15-/m0/s1

InChI Key

ZNZBLRMVIOIMQO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03820734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-3.17

Polar Surface Area

66.799

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

8014-8949 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-8949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8949?
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What is the minimum amount of 8014-8949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8949
  • 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 8014-8949 available by request