8017-3434 Screening compound: 3-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-6-nitro-2H-chromen-2-one

8017-3434 Screening compound: 3-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-6-nitro-2H-chromen-2-one
8017-3434 Screening compound: 3-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-6-nitro-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3434
3-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-6-nitro-2H-chromen-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

8017-3434

Molecular Formula

C19H14N2O5 (C19 H14 N2 O5)

Compound Name

3-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-6-nitro-2H-chromen-2-one

IUPAC name

3-(2-methyl-23-dihydro-1H-indole-1-carbonyl)-6-nitro-2H-chromen-2-one

SMILES

CC(C1)N(C(C2=Cc(cc(cc3)[N+]([O-])=O)c3OC2=O)=O)c2c1cccc2

InChI

InChI=1S/C19H14N2O5/c1-11-8-12-4-2-3-5-16(12)20(11)18(22)15-10-13-9-14(21(24)25)6-7-17(13)26-19(15)23/h2-7,9-11H,8H2,1H3/t11-/m0/s1

InChI Key

OZTLZGVSLJYNOU-NSHDSACASA-N

MDL Number (MFCD)

MFCD06016109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.198

Water Solubility, LogSw

-3.65

Polar Surface Area

69.159

Acid Dissociation Constant (pKa)

26.38

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8017-3434 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-3434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3434?
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What is the minimum amount of 8017-3434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3434
  • 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 8017-3434 available by request