8016-7489 Screening compound: 3-bromo-N~1~-{2-[(4-ethylanilino)carbonyl]phenyl}-1-adamantanecarboxamide

8016-7489 Screening compound: 3-bromo-N~1~-{2-[(4-ethylanilino)carbonyl]phenyl}-1-adamantanecarboxamide
8016-7489 Screening compound: 3-bromo-N~1~-{2-[(4-ethylanilino)carbonyl]phenyl}-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7489
3-bromo-N~1~-{2-[(4-ethylanilino)carbonyl]phenyl}-1-adamantanecarboxamide

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

8016-7489

Molecular Formula

C26H29BrN2O2 (C26 H29 BrN2 O2)

Compound Name

3-bromo-N~1~-{2-[(4-ethylanilino)carbonyl]phenyl}-1-adamantanecarboxamide

IUPAC name

3-bromo-N-{2-[(4-ethylphenyl)carbamoyl]phenyl}adamantane-1-carboxamide

SMILES

CCc(cc1)ccc1NC(c(cccc1)c1NC(C(CC(C1)C2)(CC1C1)CC12Br)=O)=O

InChI

InChI=1S/C26H29BrN2O2/c1-2-17-7-9-20(10-8-17)28-23(30)21-5-3-4-6-22(21)29-24(31)25-12-18-11-19(13-25)15-26(27,14-18)16-25/h3-10,18-19H,2,11-16H2,1H3,(H,28,30)(H,29,31)

InChI Key

ACHWSZYRHIUQLS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.578

Distribution Coefficient, logD

6.577

Water Solubility, LogSw

-5.86

Polar Surface Area

45.756

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

8016-7489 in Drug Discovery

Included in Screening Libraries

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 8016-7489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7489?
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What is the minimum amount of 8016-7489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7489
  • 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 8016-7489 available by request