8017-4558 Screening compound: N~2~-{4-[(1-adamantylamino)carbonyl]phenyl}-1-[(2,5-dimethoxyphenyl)sulfonyl]-2-pyrrolidinecarboxamide

8017-4558 Screening compound: N~2~-{4-[(1-adamantylamino)carbonyl]phenyl}-1-[(2,5-dimethoxyphenyl)sulfonyl]-2-pyrrolidinecarboxamide
8017-4558 Screening compound: N~2~-{4-[(1-adamantylamino)carbonyl]phenyl}-1-[(2,5-dimethoxyphenyl)sulfonyl]-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4558
N~2~-{4-[(1-adamantylamino)carbonyl]phenyl}-1-[(2,5-dimethoxyphenyl)sulfonyl]-2-pyrrolidinecarboxamide

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

8017-4558

Molecular Formula

C30H37N3O6S (C30 H37 N3 O6 S)

Compound Name

N~2~-{4-[(1-adamantylamino)carbonyl]phenyl}-1-[(2,5-dimethoxyphenyl)sulfonyl]-2-pyrrolidinecarboxamide

IUPAC name

N-{4-[(adamantan-1-yl)carbamoyl]phenyl}-1-(25-dimethoxybenzenesulfonyl)pyrrolidine-2-carboxamide

SMILES

COc(cc1)cc(S(N(CCC2)C2C(Nc(cc2)ccc2C(NC2(CC(C3)C4)CC4CC3C2)=O)=O)(=O)=O)c1OC

InChI

InChI=1S/C30H37N3O6S/c1-38-24-9-10-26(39-2)27(15-24)40(36,37)33-11-3-4-25(33)29(35)31-23-7-5-22(6-8-23)28(34)32-30-16-19-12-20(17-30)14-21(13-19)18-30/h5-10,15,19-21,25H,3-4,11-14,16-18H2,1-2H3,(H,31,35)(H,32,34)/t19?,20?,21?,25-,30?/m0/s1

InChI Key

STRLVEYWWCCVPW-GQEVMLRWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.24

Polar Surface Area

95.161

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

8017-4558 in Drug Discovery

Included in Screening Libraries

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:
  • 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 8017-4558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4558?
Check Price and Availability of 8017-4558, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8017-4558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4558
  • 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 8017-4558 available by request