8017-1968 Screening compound: 2-[4-(1-adamantyl)piperazino]-2-oxoethyl 2-(benzoylamino)-3-(benzylsulfanyl)propanoate

8017-1968 Screening compound: 2-[4-(1-adamantyl)piperazino]-2-oxoethyl 2-(benzoylamino)-3-(benzylsulfanyl)propanoate
8017-1968 Screening compound: 2-[4-(1-adamantyl)piperazino]-2-oxoethyl 2-(benzoylamino)-3-(benzylsulfanyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1968
2-[4-(1-adamantyl)piperazino]-2-oxoethyl 2-(benzoylamino)-3-(benzylsulfanyl)propanoate

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

8017-1968

Molecular Formula

C33H41N3O4S (C33 H41 N3 O4 S)

Compound Name

2-[4-(1-adamantyl)piperazino]-2-oxoethyl 2-(benzoylamino)-3-(benzylsulfanyl)propanoate

IUPAC name

2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl 3-(benzylsulfanyl)-2-(phenylformamido)propanoate

SMILES

O=C(COC(C(CSCc1ccccc1)NC(c1ccccc1)=O)=O)N(CC1)CCN1C1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C33H41N3O4S/c37-30(35-11-13-36(14-12-35)33-18-25-15-26(19-33)17-27(16-25)20-33)21-40-32(39)29(23-41-22-24-7-3-1-4-8-24)34-31(38)28-9-5-2-6-10-28/h1-10,25-27,29H,11-23H2,(H,34,38)/t25?,26?,27?,29-,33?/m0/s1

InChI Key

LDPWCBLMUZPMAS-ISOGBVIHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

4.642

Water Solubility, LogSw

-4.64

Polar Surface Area

64.484

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

8017-1968 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 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
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8017-1968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1968?
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What is the minimum amount of 8017-1968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1968
  • 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 8017-1968 available by request