1222-0364 Screening compound: 2-(4-bromo-3-nitrophenyl)-5-heptylpyridine

1222-0364 Screening compound: 2-(4-bromo-3-nitrophenyl)-5-heptylpyridine
1222-0364 Screening compound: 2-(4-bromo-3-nitrophenyl)-5-heptylpyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1222-0364
2-(4-bromo-3-nitrophenyl)-5-heptylpyridine

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

1222-0364

Molecular Formula

C18H21BrN2O2 (C18 H21 BrN2 O2)

Compound Name

2-(4-bromo-3-nitrophenyl)-5-heptylpyridine

IUPAC name

2-(4-bromo-3-nitrophenyl)-5-heptylpyridine

SMILES

CCCCCCCc(cc1)cnc1-c(cc1)cc([N+]([O-])=O)c1Br

InChI

InChI=1S/C18H21BrN2O2/c1-2-3-4-5-6-7-14-8-11-17(20-13-14)15-9-10-16(19)18(12-15)21(22)23/h8-13H,2-7H2,1H3

InChI Key

RPEKJTRMQDQMQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.827

Distribution Coefficient, logD

6.827

Water Solubility, LogSw

-5.70

Polar Surface Area

42.185

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

1222-0364 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1222-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1222-0364?
Check Price and Availability of 1222-0364, 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 1222-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1222-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1222-0364
  • 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 1222-0364 available by request