000L-4290 Screening compound: 2,6-dibromo-4-nitrophenyl 4-(5-pentylpyridin-2-yl)benzoate

000L-4290 Screening compound: 2,6-dibromo-4-nitrophenyl 4-(5-pentylpyridin-2-yl)benzoate
000L-4290 Screening compound: 2,6-dibromo-4-nitrophenyl 4-(5-pentylpyridin-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 000L-4290
2,6-dibromo-4-nitrophenyl 4-(5-pentylpyridin-2-yl)benzoate

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

000L-4290

Molecular Formula

C23H20Br2N2O4 (C23 H20 Br2 N2 O4)

Compound Name

2,6-dibromo-4-nitrophenyl 4-(5-pentylpyridin-2-yl)benzoate

IUPAC name

26-dibromo-4-nitrophenyl 4-(5-pentylpyridin-2-yl)benzoate

SMILES

CCCCCc(cc1)cnc1-c(cc1)ccc1C(Oc(c(Br)cc([N+]([O-])=O)c1)c1Br)=O

InChI

InChI=1S/C23H20Br2N2O4/c1-2-3-4-5-15-6-11-21(26-14-15)16-7-9-17(10-8-16)23(28)31-22-19(24)12-18(27(29)30)13-20(22)25/h6-14H,2-5H2,1H3

InChI Key

MHJZVUZEZILXCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.348

Distribution Coefficient, logD

8.346

Water Solubility, LogSw

-5.55

Polar Surface Area

63.037

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

000L-4290 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 000L-4290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000L-4290?
Check Price and Availability of 000L-4290, 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 000L-4290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000L-4290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000L-4290
  • 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 000L-4290 available by request