C301-7351 Screening compound: 2-(adamantan-1-yl)-N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}acetamide

C301-7351 Screening compound: 2-(adamantan-1-yl)-N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}acetamide
C301-7351 Screening compound: 2-(adamantan-1-yl)-N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7351
2-(adamantan-1-yl)-N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}acetamide

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

C301-7351

Molecular Formula

C33H41N5O3 (C33 H41 N5 O3)

Compound Name

2-(adamantan-1-yl)-N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}acetamide

IUPAC name

2-(adamantan-1-yl)-N-{24-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}acetamide

SMILES

CCOc(cc1)ccc1Nc(nc(Nc(cc1)ccc1OCC)nc1C)c1NC(CC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C33H41N5O3/c1-4-40-27-10-6-25(7-11-27)35-31-30(21(3)34-32(38-31)36-26-8-12-28(13-9-26)41-5-2)37-29(39)20-33-17-22-14-23(18-33)16-24(15-22)19-33/h6-13,22-24H,4-5,14-20H2,1-3H3,(H,37,39)(H2,34,35,36,38)

InChI Key

LTXMSUZDFSLKNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.512

Distribution Coefficient, logD

7.227

Water Solubility, LogSw

-5.77

Polar Surface Area

74.748

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.50

C301-7351 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 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
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with C301-7351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7351?
Check Price and Availability of C301-7351, 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 C301-7351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7351
  • 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 C301-7351 available by request