6049-1500 Screening compound: 4-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]butanoic acid

6049-1500 Screening compound: 4-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]butanoic acid
6049-1500 Screening compound: 4-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1500
4-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-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

6049-1500

Molecular Formula

C17H24N2O4S (C17 H24 N2 O4 S)

Compound Name

4-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]butanoic acid

IUPAC name

4-[(3-carbamoyl-6-propyl-4567-tetrahydro-1-benzothiophen-2-yl)carbamoyl]butanoic acid

SMILES

CCCC(CC1)Cc2c1c(C(N)=O)c(NC(CCCC(O)=O)=O)s2

InChI

InChI=1S/C17H24N2O4S/c1-2-4-10-7-8-11-12(9-10)24-17(15(11)16(18)23)19-13(20)5-3-6-14(21)22/h10H,2-9H2,1H3,(H2,18,23)(H,19,20)(H,21,22)/t10-/m1/s1

InChI Key

LVBKZTKMCICHRK-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD01834749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.190

Distribution Coefficient, logD

-1.408

Water Solubility, LogSw

-1.81

Polar Surface Area

85.545

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

6049-1500 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Arginase Targeted Library (2009 compounds)

Soluble Diversity Library (15920 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6049-1500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1500?
Check Price and Availability of 6049-1500, 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 6049-1500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1500
  • 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 6049-1500 available by request