L935-0542 Screening compound: N-(3-acetylphenyl)-2-{3-butyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-5-yl}acetamide

L935-0542 Screening compound: N-(3-acetylphenyl)-2-{3-butyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-5-yl}acetamide
L935-0542 Screening compound: N-(3-acetylphenyl)-2-{3-butyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L935-0542
N-(3-acetylphenyl)-2-{3-butyl-4-oxo-7-phenyl-3H,4H,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

L935-0542

Molecular Formula

C26H26N4O3 (C26 H26 N4 O3)

Compound Name

N-(3-acetylphenyl)-2-{3-butyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-5-yl}acetamide

IUPAC name

N-(3-acetylphenyl)-2-{3-butyl-4-oxo-7-phenyl-3H4H5H-pyrrolo[32-d]pyrimidin-5-yl}acetamide

SMILES

CCCCN(C=Nc1c2n(CC(Nc3cc(C(C)=O)ccc3)=O)cc1-c1ccccc1)C2=O

InChI

InChI=1S/C26H26N4O3/c1-3-4-13-29-17-27-24-22(19-9-6-5-7-10-19)15-30(25(24)26(29)33)16-23(32)28-21-12-8-11-20(14-21)18(2)31/h5-12,14-15,17H,3-4,13,16H2,1-2H3,(H,28,32)

InChI Key

HMRDKOSBJBLGDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-3.79

Polar Surface Area

62.911

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

L935-0542 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 L935-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L935-0542?
Check Price and Availability of L935-0542, 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 L935-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L935-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L935-0542
  • 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 L935-0542 available by request