2063-0389 Screening compound: 4-(3,5-dimethylphenyl)-3-[(4-iodophenyl)carbamoyl]-2-methylbutanoic acid

2063-0389 Screening compound: 4-(3,5-dimethylphenyl)-3-[(4-iodophenyl)carbamoyl]-2-methylbutanoic acid
2063-0389 Screening compound: 4-(3,5-dimethylphenyl)-3-[(4-iodophenyl)carbamoyl]-2-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2063-0389
4-(3,5-dimethylphenyl)-3-[(4-iodophenyl)carbamoyl]-2-methylbutanoic acid

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

2063-0389

Molecular Formula

C20H22INO3 (C20 H22 INO3)

Compound Name

4-(3,5-dimethylphenyl)-3-[(4-iodophenyl)carbamoyl]-2-methylbutanoic acid

IUPAC name

4-(35-dimethylphenyl)-3-[(4-iodophenyl)carbamoyl]-2-methylbutanoic acid

SMILES

CC(C(Cc1cc(C)cc(C)c1)C(Nc(cc1)ccc1I)=O)C(O)=O

InChI

InChI=1S/C20H22INO3/c1-12-8-13(2)10-15(9-12)11-18(14(3)20(24)25)19(23)22-17-6-4-16(21)5-7-17/h4-10,14,18H,11H2,1-3H3,(H,22,23)(H,24,25)

InChI Key

AXJMJFPGKOCYGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.347

Distribution Coefficient, logD

2.938

Water Solubility, LogSw

-5.16

Polar Surface Area

51.738

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

2063-0389 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 2063-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2063-0389?
Check Price and Availability of 2063-0389, 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 2063-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2063-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2063-0389
  • 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 2063-0389 available by request