F656-0131 Screening compound: 3-{5,6-dimethyl-4-oxo-7-phenyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-3-yl}-N-[(2-ethoxyphenyl)methyl]propanamide

F656-0131 Screening compound: 3-{5,6-dimethyl-4-oxo-7-phenyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-3-yl}-N-[(2-ethoxyphenyl)methyl]propanamide
F656-0131 Screening compound: 3-{5,6-dimethyl-4-oxo-7-phenyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-3-yl}-N-[(2-ethoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F656-0131
3-{5,6-dimethyl-4-oxo-7-phenyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-3-yl}-N-[(2-ethoxyphenyl)methyl]propanamide

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

F656-0131

Molecular Formula

C26H28N4O3 (C26 H28 N4 O3)

Compound Name

3-{5,6-dimethyl-4-oxo-7-phenyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-3-yl}-N-[(2-ethoxyphenyl)methyl]propanamide

IUPAC name

3-{56-dimethyl-4-oxo-7-phenyl-3H4H7H-pyrrolo[23-d]pyrimidin-3-yl}-N-[(2-ethoxyphenyl)methyl]propanamide

SMILES

CCOc1c(CNC(CCN(C=Nc2c3c(C)c(C)n2-c2ccccc2)C3=O)=O)cccc1

InChI

InChI=1S/C26H28N4O3/c1-4-33-22-13-9-8-10-20(22)16-27-23(31)14-15-29-17-28-25-24(26(29)32)18(2)19(3)30(25)21-11-6-5-7-12-21/h5-13,17H,4,14-16H2,1-3H3,(H,27,31)

InChI Key

QQYPLGYQODBCKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27183063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.616

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-3.80

Polar Surface Area

60.325

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

F656-0131 in Drug Discovery

Included in Screening Libraries

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F656-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F656-0131?
Check Price and Availability of F656-0131, 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 F656-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F656-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F656-0131
  • 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 F656-0131 available by request