8016-6766 Screening compound: 4-(4-{[2-(4-chloro-3-methylphenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid

8016-6766 Screening compound: 4-(4-{[2-(4-chloro-3-methylphenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
8016-6766 Screening compound: 4-(4-{[2-(4-chloro-3-methylphenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6766
4-(4-{[2-(4-chloro-3-methylphenoxy)acetyl]amino}-1H-pyrazol-1-yl)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

8016-6766

Molecular Formula

C16H18ClN3O4 (C16 H18 ClN3 O4)

Compound Name

4-(4-{[2-(4-chloro-3-methylphenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid

IUPAC name

4-{4-[2-(4-chloro-3-methylphenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid

SMILES

Cc(cc(cc1)OCC(Nc2cn(CCCC(O)=O)nc2)=O)c1Cl

InChI

InChI=1S/C16H18ClN3O4/c1-11-7-13(4-5-14(11)17)24-10-15(21)19-12-8-18-20(9-12)6-2-3-16(22)23/h4-5,7-9H,2-3,6,10H2,1H3,(H,19,21)(H,22,23)

InChI Key

AJYIBZSGQNHDDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.804

Distribution Coefficient, logD

-0.915

Water Solubility, LogSw

-2.70

Polar Surface Area

73.755

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

8016-6766 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8016-6766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6766?
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What is the minimum amount of 8016-6766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6766
  • 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 8016-6766 available by request