3849-0277 Screening compound: 2-(4-fluorobenzyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

3849-0277 Screening compound: 2-(4-fluorobenzyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
3849-0277 Screening compound: 2-(4-fluorobenzyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3849-0277
2-(4-fluorobenzyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-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

3849-0277

Molecular Formula

C18H16FNO2 (C18 H16 FNO2)

Compound Name

2-(4-fluorobenzyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

IUPAC name

4'-[(4-fluorophenyl)methyl]-4'-azaspiro[cyclopropane-110'-tricyclo[5.2.1.0^{26}]decan]-8'-ene-3'5'-dione

SMILES

O=C(C(C12)C3C=CC2C32CC2)N(Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C18H16FNO2/c19-11-3-1-10(2-4-11)9-20-16(21)14-12-5-6-13(15(14)17(20)22)18(12)7-8-18/h1-6,12-15H,7-9H2

InChI Key

UQWJKJRHEUOMQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00687162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.865

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-2.17

Polar Surface Area

30.588

Acid Dissociation Constant (pKa)

17.57

Base Dissociation Constant (pKb)

-9.48

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

44.40

3849-0277 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3849-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3849-0277?
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What is the minimum amount of 3849-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3849-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3849-0277
  • 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 3849-0277 available by request