1935-0147 Screening compound: 2-[2-chloro-5-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

1935-0147 Screening compound: 2-[2-chloro-5-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
1935-0147 Screening compound: 2-[2-chloro-5-(trifluoromethyl)phenyl]-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 1935-0147
2-[2-chloro-5-(trifluoromethyl)phenyl]-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

1935-0147

Molecular Formula

C18H13ClF3NO2 (C18 H13 ClF3 NO2)

Compound Name

2-[2-chloro-5-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

IUPAC name

4'-[2-chloro-5-(trifluoromethyl)phenyl]-4'-azaspiro[cyclopropane-110'-tricyclo[5.2.1.0^{26}]decan]-8'-ene-3'5'-dione

SMILES

O=C(C(C1C2=O)C3C=CC1C31CC1)N2c(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C18H13ClF3NO2/c19-11-4-1-8(18(20,21)22)7-12(11)23-15(24)13-9-2-3-10(14(13)16(23)25)17(9)5-6-17/h1-4,7,9-10,13-14H,5-6H2

InChI Key

JKXYAGKENRLCMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.75

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

2.778

Distribution Coefficient, logD

2.778

Water Solubility, LogSw

-3.63

Polar Surface Area

29.675

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

-8.10

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

44.40

1935-0147 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1935-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1935-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1935-0147
  • 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 1935-0147 available by request