0832-2858 Screening compound: methyl 2-(adamantan-1-yl)-2-[(E)-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino]acetate

0832-2858 Screening compound: methyl 2-(adamantan-1-yl)-2-[(E)-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino]acetate
0832-2858 Screening compound: methyl 2-(adamantan-1-yl)-2-[(E)-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0832-2858
methyl 2-(adamantan-1-yl)-2-[(E)-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino]acetate

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

0832-2858

Molecular Formula

C20H23BrN2O5 (C20 H23 BrN2 O5)

Compound Name

methyl 2-(adamantan-1-yl)-2-[(E)-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino]acetate

IUPAC name

methyl 2-(adamantan-1-yl)-2-[(E)-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino]acetate

SMILES

COC(C(C1(CC(C2)C3)CC3CC2C1)/N=C/c1cc([N+]([O-])=O)cc(Br)c1O)=O

InChI

InChI=1S/C20H23BrN2O5/c1-28-19(25)18(20-7-11-2-12(8-20)4-13(3-11)9-20)22-10-14-5-15(23(26)27)6-16(21)17(14)24/h5-6,10-13,18,24H,2-4,7-9H2,1H3/t11?,12?,13?,18-,20?/m1/s1

InChI Key

JXNIORYWPWFIGP-UFVKSWEXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.409

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-5.28

Polar Surface Area

79.108

Acid Dissociation Constant (pKa)

5.99

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with 0832-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0832-2858?
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What is the minimum amount of 0832-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0832-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0832-2858
  • 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 0832-2858 available by request