8004-2741 Screening compound: 1,2,2-trimethyl-3-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

8004-2741 Screening compound: 1,2,2-trimethyl-3-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
8004-2741 Screening compound: 1,2,2-trimethyl-3-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2741
1,2,2-trimethyl-3-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic 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

8004-2741

Molecular Formula

C17H23NO3 (C17 H23 NO3)

Compound Name

1,2,2-trimethyl-3-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

IUPAC name

122-trimethyl-3-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

SMILES

CC(C)(C(CC1)C(Nc2ccc(C)cc2)=O)C1(C)C(O)=O

InChI

InChI=1S/C17H23NO3/c1-11-5-7-12(8-6-11)18-14(19)13-9-10-17(4,15(20)21)16(13,2)3/h5-8,13H,9-10H2,1-4H3,(H,18,19)(H,20,21)

InChI Key

RIPUIEQHIHOULS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00136071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.088

Distribution Coefficient, logD

1.056

Water Solubility, LogSw

-3.16

Polar Surface Area

52.296

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

8004-2741 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8004-2741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2741?
Check Price and Availability of 8004-2741, 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 8004-2741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2741
  • 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 8004-2741 available by request