4732-0049 Screening compound: 4-(ethoxycarbonyl)-4-[2-(phenylamino)-1,3-thiazol-4-yl]octanoic acid

4732-0049 Screening compound: 4-(ethoxycarbonyl)-4-[2-(phenylamino)-1,3-thiazol-4-yl]octanoic acid
4732-0049 Screening compound: 4-(ethoxycarbonyl)-4-[2-(phenylamino)-1,3-thiazol-4-yl]octanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4732-0049
4-(ethoxycarbonyl)-4-[2-(phenylamino)-1,3-thiazol-4-yl]octanoic 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

4732-0049

Molecular Formula

C20H26N2O4S (C20 H26 N2 O4 S)

Compound Name

4-(ethoxycarbonyl)-4-[2-(phenylamino)-1,3-thiazol-4-yl]octanoic acid

IUPAC name

4-(ethoxycarbonyl)-4-[2-(phenylamino)-13-thiazol-4-yl]octanoic acid

SMILES

CCCCC(CCC(O)=O)(C(OCC)=O)c1csc(Nc2ccccc2)n1

InChI

InChI=1S/C20H26N2O4S/c1-3-5-12-20(13-11-17(23)24,18(25)26-4-2)16-14-27-19(22-16)21-15-9-7-6-8-10-15/h6-10,14H,3-5,11-13H2,1-2H3,(H,21,22)(H,23,24)/t20-/m1/s1

InChI Key

BQBLDUOCIMPGKJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01557659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.253

Distribution Coefficient, logD

2.301

Water Solubility, LogSw

-4.86

Polar Surface Area

68.335

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

4732-0049 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 4732-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4732-0049?
Check Price and Availability of 4732-0049, 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 4732-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4732-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4732-0049
  • 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 4732-0049 available by request