7752-0077 Screening compound: N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(4-ethylphenoxy)acetamide

7752-0077 Screening compound: N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(4-ethylphenoxy)acetamide
7752-0077 Screening compound: N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(4-ethylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0077
N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(4-ethylphenoxy)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

7752-0077

Molecular Formula

C27H30N6O2 (C27 H30 N6 O2)

Compound Name

N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(4-ethylphenoxy)acetamide

IUPAC name

N-[(E)-N'-(46-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-(4-ethylphenoxy)acetamide

SMILES

CCc(cc1)ccc1OCC(N/C(/NCCc1c[nH]c2c1cccc2)=N/c1nc(C)cc(C)n1)=O

InChI

InChI=1S/C27H30N6O2/c1-4-20-9-11-22(12-10-20)35-17-25(34)32-26(33-27-30-18(2)15-19(3)31-27)28-14-13-21-16-29-24-8-6-5-7-23(21)24/h5-12,15-16,29H,4,13-14,17H2,1-3H3,(H2,28,30,31,32,33,34)

InChI Key

BEZSUFWWSCTITD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06601185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.528

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.21

Polar Surface Area

78.168

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

7752-0077 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
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 7752-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0077?
Check Price and Availability of 7752-0077, 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 7752-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0077
  • 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 7752-0077 available by request