P681-0487 Screening compound: N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-1'-carboxamide

Chemical Structure Depiction of ChemDiv screening compound P681-0487
N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-1'-carboxamide

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P681-0487

Molecular Formula

C₂₁H₂₂FN₃O₄ (C21 H22 FN3 O4)

Compound Name

N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-1'-carboxamide

IUPAC name

N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxo-12-dihydrospiro[indole-33'-pyrrolidine]-1'-carboxamide

SMILES

CN(C(C1(CC2)CN2C(Nc(cc2)cc(F)c2OC)=O)=O)c(cc2)c1cc2OC

InChI

InChI=1S/C21H22FN3O4/c1-24-17-6-5-14(28-2)11-15(17)21(19(24)26)8-9-25(12-21)20(27)23-13-4-7-18(29-3)16(22)10-13/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,27)/t21-/m0/s1

InChI Key

XPYJSBIFIRUWTJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27611709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.738

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.49

Polar Surface Area

56.416

Acid Dissociation Constant (pK_a)

11.26

Base Dissociation Constant (pK_b)

-1.24

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

33.30

P681-0487 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Cancer
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Immune system
Hemic and lymphatic
Cardiovascular
Cancer

Mechanism of action:

PPI modulators
PPI modulators
PPI modulators
PPI modulators

Structure:

Cyclic compounds
Cyclic compounds
Mimetics

Agro:

Agro

References: we are preparing a list of scientific research reports with P681-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P681-0487?
Check Price and Availability of P681-0487, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

What is the minimum amount of P681-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for P681-0487
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for P681-0487

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 P681-0487 available by request