C276-0998 Screening compound: 4-(2-chloro-5-nitrophenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-0998 Screening compound: 4-(2-chloro-5-nitrophenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-0998 Screening compound: 4-(2-chloro-5-nitrophenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0998
4-(2-chloro-5-nitrophenyl)-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

C276-0998

Molecular Formula

C15H13ClN2O4 (C15 H13 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc(C(C2)C(C(CCC3)=O)=C3NC2=O)c1Cl)=O

InChI

InChI=1S/C15H13ClN2O4/c16-11-5-4-8(18(21)22)6-9(11)10-7-14(20)17-12-2-1-3-13(19)15(10)12/h4-6,10H,1-3,7H2,(H,17,20)/t10-/m0/s1

InChI Key

CUBSTDOMNDLQLR-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06754601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-3.51

Polar Surface Area

71.388

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C276-0998 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 C276-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0998?
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What is the minimum amount of C276-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0998
  • 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 C276-0998 available by request