3937-0027 Screening compound: 1-(2-chloro-4-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline

3937-0027 Screening compound: 1-(2-chloro-4-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline
3937-0027 Screening compound: 1-(2-chloro-4-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3937-0027
1-(2-chloro-4-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline

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

3937-0027

Molecular Formula

C16H13ClN2O3 (C16 H13 ClN2 O3)

Compound Name

1-(2-chloro-4-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(2-chloro-4-nitrobenzoyl)-1234-tetrahydroquinoline

SMILES

[O-][N+](c(cc1)cc(Cl)c1C(N(CCC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C16H13ClN2O3/c17-14-10-12(19(21)22)7-8-13(14)16(20)18-9-3-5-11-4-1-2-6-15(11)18/h1-2,4,6-8,10H,3,5,9H2

InChI Key

DDYKSNPUZVRRSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01004874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

3.990

Water Solubility, LogSw

-4.59

Polar Surface Area

48.933

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 3937-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3937-0027?
Check Price and Availability of 3937-0027, 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 3937-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3937-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3937-0027
  • 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 3937-0027 available by request