L936-0176 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(morpholin-4-yl)-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide

L936-0176 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(morpholin-4-yl)-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide
L936-0176 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(morpholin-4-yl)-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L936-0176
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(morpholin-4-yl)-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-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

L936-0176

Molecular Formula

C26H25N5O4 (C26 H25 N5 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(morpholin-4-yl)-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[4-(morpholin-4-yl)-7-phenyl-5H-pyrrolo[32-d]pyrimidin-5-yl]acetamide

SMILES

O=C(Cn1c2c(N3CCOCC3)ncnc2c(-c2ccccc2)c1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C26H25N5O4/c32-23(27-13-18-6-7-21-22(12-18)35-17-34-21)15-31-14-20(19-4-2-1-3-5-19)24-25(31)26(29-16-28-24)30-8-10-33-11-9-30/h1-7,12,14,16H,8-11,13,15,17H2,(H,27,32)

InChI Key

YMYXHAJUISCELQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.390

Distribution Coefficient, logD

2.069

Water Solubility, LogSw

-3.59

Polar Surface Area

74.923

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

8.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

L936-0176 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L936-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L936-0176?
Check Price and Availability of L936-0176, 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 L936-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L936-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L936-0176
  • 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 L936-0176 available by request