6049-2259 Screening compound: 4-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic acid

6049-2259 Screening compound: 4-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic acid
6049-2259 Screening compound: 4-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2259
4-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic 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

6049-2259

Molecular Formula

C23H29NO5S (C23 H29 NO5 S)

Compound Name

4-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic acid

IUPAC name

4-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}butanoic acid

SMILES

CCOC(c1c(NC(CCCC(O)=O)=O)sc(C)c1-c1ccc(C(C)(C)C)cc1)=O

InChI

InChI=1S/C23H29NO5S/c1-6-29-22(28)20-19(15-10-12-16(13-11-15)23(3,4)5)14(2)30-21(20)24-17(25)8-7-9-18(26)27/h10-13H,6-9H2,1-5H3,(H,24,25)(H,26,27)

InChI Key

XTFHJPDCKRSUQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02176227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.631

Distribution Coefficient, logD

2.034

Water Solubility, LogSw

-4.44

Polar Surface Area

72.048

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

6049-2259 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6049-2259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2259?
Check Price and Availability of 6049-2259, 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 6049-2259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2259
  • 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 6049-2259 available by request