8017-0151 Screening compound: 3-[(2-aminoanilino)carbonyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid

8017-0151 Screening compound: 3-[(2-aminoanilino)carbonyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid
8017-0151 Screening compound: 3-[(2-aminoanilino)carbonyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0151
3-[(2-aminoanilino)carbonyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic 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

8017-0151

Molecular Formula

C16H22N2O3 (C16 H22 N2 O3)

Compound Name

3-[(2-aminoanilino)carbonyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid

IUPAC name

3-[(2-aminophenyl)carbamoyl]-122-trimethylcyclopentane-1-carboxylic acid

SMILES

CC(C)(C(CC1)C(Nc(cccc2)c2N)=O)C1(C)C(O)=O

InChI

InChI=1S/C16H22N2O3/c1-15(2)10(8-9-16(15,3)14(20)21)13(19)18-12-7-5-4-6-11(12)17/h4-7,10H,8-9,17H2,1-3H3,(H,18,19)(H,20,21)

InChI Key

ZYNIPUCPFRRREB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00570570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.861

Distribution Coefficient, logD

-0.172

Water Solubility, LogSw

-2.18

Polar Surface Area

71.694

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

8017-0151 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0151?
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What is the minimum amount of 8017-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0151
  • 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 8017-0151 available by request