8018-0249 Screening compound: N~1~-(1-adamantyl)-2-{[2-(4-chlorophenoxy)acetyl]amino}benzamide

8018-0249 Screening compound: N~1~-(1-adamantyl)-2-{[2-(4-chlorophenoxy)acetyl]amino}benzamide
8018-0249 Screening compound: N~1~-(1-adamantyl)-2-{[2-(4-chlorophenoxy)acetyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0249
N~1~-(1-adamantyl)-2-{[2-(4-chlorophenoxy)acetyl]amino}benzamide

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

8018-0249

Molecular Formula

C25H27ClN2O3 (C25 H27 ClN2 O3)

Compound Name

N~1~-(1-adamantyl)-2-{[2-(4-chlorophenoxy)acetyl]amino}benzamide

IUPAC name

N-(adamantan-1-yl)-2-[2-(4-chlorophenoxy)acetamido]benzamide

SMILES

O=C(COc(cc1)ccc1Cl)Nc(cccc1)c1C(NC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C25H27ClN2O3/c26-19-5-7-20(8-6-19)31-15-23(29)27-22-4-2-1-3-21(22)24(30)28-25-12-16-9-17(13-25)11-18(10-16)14-25/h1-8,16-18H,9-15H2,(H,27,29)(H,28,30)

InChI Key

MTYZPLVCQKNKPY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.990

Distribution Coefficient, logD

4.989

Water Solubility, LogSw

-5.16

Polar Surface Area

54.026

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

8018-0249 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0249?
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What is the minimum amount of 8018-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0249
  • 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 8018-0249 available by request