4732-0113 Screening compound: 4-(2-amino-1,3-thiazol-4-yl)-4-(ethoxycarbonyl)-7-methyloctanoic acid

4732-0113 Screening compound: 4-(2-amino-1,3-thiazol-4-yl)-4-(ethoxycarbonyl)-7-methyloctanoic acid
4732-0113 Screening compound: 4-(2-amino-1,3-thiazol-4-yl)-4-(ethoxycarbonyl)-7-methyloctanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4732-0113
4-(2-amino-1,3-thiazol-4-yl)-4-(ethoxycarbonyl)-7-methyloctanoic 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

4732-0113

Molecular Formula

C15H24N2O4S (C15 H24 N2 O4 S)

Compound Name

4-(2-amino-1,3-thiazol-4-yl)-4-(ethoxycarbonyl)-7-methyloctanoic acid

IUPAC name

4-(2-amino-13-thiazol-4-yl)-4-(ethoxycarbonyl)-7-methyloctanoic acid

SMILES

CCOC(C(CCC(C)C)(CCC(O)=O)c1csc(N)n1)=O

InChI

InChI=1S/C15H24N2O4S/c1-4-21-13(20)15(7-5-10(2)3,8-6-12(18)19)11-9-22-14(16)17-11/h9-10H,4-8H2,1-3H3,(H2,16,17)(H,18,19)/t15-/m1/s1

InChI Key

ZLGWGYVHTJHKGV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00698006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

0.108

Water Solubility, LogSw

-3.25

Polar Surface Area

80.179

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

4732-0113 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4732-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4732-0113?
Check Price and Availability of 4732-0113, 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 4732-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4732-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4732-0113
  • 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 4732-0113 available by request