C276-1498 Screening compound: 4-(2-chloro-5-nitrophenyl)-7-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-1498 Screening compound: 4-(2-chloro-5-nitrophenyl)-7-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-1498 Screening compound: 4-(2-chloro-5-nitrophenyl)-7-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1498
4-(2-chloro-5-nitrophenyl)-7-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

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

C276-1498

Molecular Formula

C22H19ClN2O5 (C22 H19 ClN2 O5)

Compound Name

4-(2-chloro-5-nitrophenyl)-7-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

4-(2-chloro-5-nitrophenyl)-7-(4-methoxyphenyl)-12345678-octahydroquinoline-25-dione

SMILES

COc1ccc(C(C2)CC(NC(CC3c(cc(cc4)[N+]([O-])=O)c4Cl)=O)=C3C2=O)cc1

InChI

InChI=1S/C22H19ClN2O5/c1-30-15-5-2-12(3-6-15)13-8-19-22(20(26)9-13)17(11-21(27)24-19)16-10-14(25(28)29)4-7-18(16)23/h2-7,10,13,17H,8-9,11H2,1H3,(H,24,27)

InChI Key

HPZYEMOPGVYGKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07613372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

3.139

Water Solubility, LogSw

-4.72

Polar Surface Area

78.660

Acid Dissociation Constant (pKa)

6.32

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

C276-1498 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1498?
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What is the minimum amount of C276-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1498
  • 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 C276-1498 available by request