4883-0086 Screening compound: 5-chloro-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one

4883-0086 Screening compound: 5-chloro-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one
4883-0086 Screening compound: 5-chloro-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4883-0086
5-chloro-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one

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

4883-0086

Molecular Formula

C17H13ClN2O6 (C17 H13 ClN2 O6)

Compound Name

5-chloro-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

5-chloro-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-23-dihydro-1H-indol-2-one

SMILES

COc(ccc(C(CC(c(cc(cc1)Cl)c1N1)(C1=O)O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H13ClN2O6/c1-26-15-5-2-9(6-13(15)20(24)25)14(21)8-17(23)11-7-10(18)3-4-12(11)19-16(17)22/h2-7,23H,8H2,1H3,(H,19,22)/t17-/m0/s1

InChI Key

LSPFBSAQWONNRY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04209112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.75

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-3.37

Polar Surface Area

94.529

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

4883-0086 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4883-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4883-0086?
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What is the minimum amount of 4883-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4883-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4883-0086
  • 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 4883-0086 available by request