3555-0135 Screening compound: (1Z)-1-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-ylidene]-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

3555-0135 Screening compound: (1Z)-1-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-ylidene]-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
3555-0135 Screening compound: (1Z)-1-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-ylidene]-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3555-0135
(1Z)-1-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-ylidene]-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

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

3555-0135

Molecular Formula

C18H18FN3 (C18 H18 FN3)

Compound Name

(1Z)-1-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-ylidene]-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

IUPAC name

(1Z)-1-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-ylidene]-33-dimethyl-1234-tetrahydroisoquinoline

SMILES

CC(C)(Cc1c2cccc1)N/C2=N\N=C\c1cccc(F)c1

InChI

InChI=1S/C18H18FN3/c1-18(2)11-14-7-3-4-9-16(14)17(21-18)22-20-12-13-6-5-8-15(19)10-13/h3-10,12H,11H2,1-2H3,(H,21,22)

InChI Key

AZMFMMOPPPALAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02047685

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

295.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.31

Polar Surface Area

30.389

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3555-0135 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3555-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3555-0135?
Check Price and Availability of 3555-0135, 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 3555-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3555-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3555-0135
  • 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 3555-0135 available by request