8005-9190 Screening compound: 1,2,2-trimethyl-3-{[4-(phenylamino)phenyl]carbamoyl}cyclopentane-1-carboxylic acid

8005-9190 Screening compound: 1,2,2-trimethyl-3-{[4-(phenylamino)phenyl]carbamoyl}cyclopentane-1-carboxylic acid
8005-9190 Screening compound: 1,2,2-trimethyl-3-{[4-(phenylamino)phenyl]carbamoyl}cyclopentane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9190
1,2,2-trimethyl-3-{[4-(phenylamino)phenyl]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

8005-9190

Molecular Formula

C22H26N2O3 (C22 H26 N2 O3)

Compound Name

1,2,2-trimethyl-3-{[4-(phenylamino)phenyl]carbamoyl}cyclopentane-1-carboxylic acid

IUPAC name

122-trimethyl-3-{[4-(phenylamino)phenyl]carbamoyl}cyclopentane-1-carboxylic acid

SMILES

CC(C)(C(CC1)C(Nc(cc2)ccc2Nc2ccccc2)=O)C1(C)C(O)=O

InChI

InChI=1S/C22H26N2O3/c1-21(2)18(13-14-22(21,3)20(26)27)19(25)24-17-11-9-16(10-12-17)23-15-7-5-4-6-8-15/h4-12,18,23H,13-14H2,1-3H3,(H,24,25)(H,26,27)

InChI Key

ULXQSQPKEUJAQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00554938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

1.942

Water Solubility, LogSw

-3.95

Polar Surface Area

61.208

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

8005-9190 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8005-9190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9190?
Check Price and Availability of 8005-9190, 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 8005-9190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9190
  • 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 8005-9190 available by request