4951-1216 Screening compound: (3E)-N-(adamantan-1-yl)-3-{[(3-hydroxyphenyl)formamido]imino}butanamide

4951-1216 Screening compound: (3E)-N-(adamantan-1-yl)-3-{[(3-hydroxyphenyl)formamido]imino}butanamide
4951-1216 Screening compound: (3E)-N-(adamantan-1-yl)-3-{[(3-hydroxyphenyl)formamido]imino}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4951-1216
(3E)-N-(adamantan-1-yl)-3-{[(3-hydroxyphenyl)formamido]imino}butanamide

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

4951-1216

Molecular Formula

C21H27N3O3 (C21 H27 N3 O3)

Compound Name

(3E)-N-(adamantan-1-yl)-3-{[(3-hydroxyphenyl)formamido]imino}butanamide

IUPAC name

(3E)-N-(adamantan-1-yl)-3-{[(3-hydroxyphenyl)formamido]imino}butanamide

SMILES

C/C(/CC(NC1(CC(C2)C3)CC3CC2C1)=O)=N\NC(c1cc(O)ccc1)=O

InChI

InChI=1S/C21H27N3O3/c1-13(23-24-20(27)17-3-2-4-18(25)9-17)5-19(26)22-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-4,9,14-16,25H,5-8,10-12H2,1H3,(H,22,26)(H,24,27)

InChI Key

PPVADNZCWCXGTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01894458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-3.09

Polar Surface Area

76.707

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

4951-1216 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4951-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4951-1216?
Check Price and Availability of 4951-1216, 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 4951-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4951-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4951-1216
  • 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 4951-1216 available by request