2053-0144 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate

2053-0144 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate
2053-0144 Screening compound: 2-(4-nitrophenyl)-2-oxoethyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2053-0144
2-(4-nitrophenyl)-2-oxoethyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate

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

2053-0144

Molecular Formula

C28H37NO6 (C28 H37 NO6)

Compound Name

2-(4-nitrophenyl)-2-oxoethyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate

IUPAC name

2-(4-nitrophenyl)-2-oxoethyl 4-[24-bis(2-methylbutan-2-yl)phenoxy]butanoate

SMILES

CCC(C)(C)c(cc1)cc(C(C)(C)CC)c1OCCCC(OCC(c(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C28H37NO6/c1-7-27(3,4)21-13-16-25(23(18-21)28(5,6)8-2)34-17-9-10-26(31)35-19-24(30)20-11-14-22(15-12-20)29(32)33/h11-16,18H,7-10,17,19H2,1-6H3

InChI Key

ZOJZTSICWFNFHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.334

Distribution Coefficient, logD

7.334

Water Solubility, LogSw

-5.63

Polar Surface Area

74.634

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

2053-0144 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2053-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2053-0144?
Check Price and Availability of 2053-0144, 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 2053-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2053-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2053-0144
  • 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 2053-0144 available by request