D066-0090 Screening compound: 4-methyl-2-{2-[(1,3-thiazol-2-yl)carbamoyl]ethyl}pentanoic acid

D066-0090 Screening compound: 4-methyl-2-{2-[(1,3-thiazol-2-yl)carbamoyl]ethyl}pentanoic acid
D066-0090 Screening compound: 4-methyl-2-{2-[(1,3-thiazol-2-yl)carbamoyl]ethyl}pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D066-0090
4-methyl-2-{2-[(1,3-thiazol-2-yl)carbamoyl]ethyl}pentanoic 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

D066-0090

Molecular Formula

C12H18N2O3S (C12 H18 N2 O3 S)

Compound Name

4-methyl-2-{2-[(1,3-thiazol-2-yl)carbamoyl]ethyl}pentanoic acid

IUPAC name

4-methyl-2-{2-[(13-thiazol-2-yl)carbamoyl]ethyl}pentanoic acid

SMILES

CC(C)CC(CCC(Nc1nccs1)=O)C(O)=O

InChI

InChI=1S/C12H18N2O3S/c1-8(2)7-9(11(16)17)3-4-10(15)14-12-13-5-6-18-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)(H,13,14,15)/t9-/m0/s1

InChI Key

PAJAYXHUOMVGGK-VIFPVBQESA-N

MDL Number (MFCD)

MFCD06123509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.746

Distribution Coefficient, logD

-0.583

Water Solubility, LogSw

-2.26

Polar Surface Area

62.274

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

D066-0090 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D066-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D066-0090?
Check Price and Availability of D066-0090, 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 D066-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D066-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D066-0090
  • 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 D066-0090 available by request