8006-4141 Screening compound: [(2-nitrophenyl)carbamoyl]methyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate

8006-4141 Screening compound: [(2-nitrophenyl)carbamoyl]methyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
8006-4141 Screening compound: [(2-nitrophenyl)carbamoyl]methyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4141
[(2-nitrophenyl)carbamoyl]methyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate

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

8006-4141

Molecular Formula

C18H20N4O7 (C18 H20 N4 O7)

Compound Name

[(2-nitrophenyl)carbamoyl]methyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate

IUPAC name

[(2-nitrophenyl)carbamoyl]methyl 6-(5-methyl-2-oxo-23-dihydro-1H-imidazol-4-yl)-6-oxohexanoate

SMILES

CC(N1)=C(C(CCCCC(OCC(Nc(cccc2)c2[N+]([O-])=O)=O)=O)=O)NC1=O

InChI

InChI=1S/C18H20N4O7/c1-11-17(21-18(26)19-11)14(23)8-4-5-9-16(25)29-10-15(24)20-12-6-2-3-7-13(12)22(27)28/h2-3,6-7H,4-5,8-10H2,1H3,(H,20,24)(H2,19,21,26)

InChI Key

AVCWXMLWMICDGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.38

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.151

Distribution Coefficient, logD

-1.945

Water Solubility, LogSw

-2.27

Polar Surface Area

124.540

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8006-4141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4141?
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What is the minimum amount of 8006-4141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4141
  • 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 8006-4141 available by request