3970-0921 Screening compound: 2-(3-chloro-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

3970-0921 Screening compound: 2-(3-chloro-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
3970-0921 Screening compound: 2-(3-chloro-4-methylphenyl)-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 3970-0921
2-(3-chloro-4-methylphenyl)-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

3970-0921

Molecular Formula

C18H16ClNO2 (C18 H16 ClNO2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(N(C(C(C12)C3C=CC2C32CC2)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C18H16ClNO2/c1-9-2-3-10(8-13(9)19)20-16(21)14-11-4-5-12(15(14)17(20)22)18(11)6-7-18/h2-5,8,11-12,14-15H,6-7H2,1H3

InChI Key

USXBFTZCSXJFOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02167963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.654

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-3.27

Polar Surface Area

29.976

Acid Dissociation Constant (pKa)

16.03

Base Dissociation Constant (pKb)

-6.14

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 3970-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-0921?
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What is the minimum amount of 3970-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-0921
  • 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 3970-0921 available by request