C155-0391 Screening compound: 2-{[4-(adamantan-1-yl)phenyl]formamido}-N-[3-(2-ethylpiperidin-1-yl)propyl]-3-methylbutanamide

C155-0391 Screening compound: 2-{[4-(adamantan-1-yl)phenyl]formamido}-N-[3-(2-ethylpiperidin-1-yl)propyl]-3-methylbutanamide
C155-0391 Screening compound: 2-{[4-(adamantan-1-yl)phenyl]formamido}-N-[3-(2-ethylpiperidin-1-yl)propyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0391
2-{[4-(adamantan-1-yl)phenyl]formamido}-N-[3-(2-ethylpiperidin-1-yl)propyl]-3-methylbutanamide

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

C155-0391

Molecular Formula

C32H49N3O2 (C32 H49 N3 O2)

Compound Name

2-{[4-(adamantan-1-yl)phenyl]formamido}-N-[3-(2-ethylpiperidin-1-yl)propyl]-3-methylbutanamide

IUPAC name

2-{[4-(adamantan-1-yl)phenyl]formamido}-N-[3-(2-ethylpiperidin-1-yl)propyl]-3-methylbutanamide

SMILES

CCC1N(CCCNC(C(C(C)C)NC(c2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)=O)=O)CCCC1

InChI

InChI=1S/C32H49N3O2/c1-4-28-8-5-6-14-35(28)15-7-13-33-31(37)29(22(2)3)34-30(36)26-9-11-27(12-10-26)32-19-23-16-24(20-32)18-25(17-23)21-32/h9-12,22-25,28-29H,4-8,13-21H2,1-3H3,(H,33,37)(H,34,36)

InChI Key

QVFDTSQHELWKNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.239

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-5.50

Polar Surface Area

52.086

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

C155-0391 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 C155-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0391?
Check Price and Availability of C155-0391, 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 C155-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0391
  • 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 C155-0391 available by request