L462-0058 Screening compound: 1,3-diethyl-7-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione

L462-0058 Screening compound: 1,3-diethyl-7-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
L462-0058 Screening compound: 1,3-diethyl-7-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L462-0058
1,3-diethyl-7-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione

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

L462-0058

Molecular Formula

C21H26N6O3 (C21 H26 N6 O3)

Compound Name

1,3-diethyl-7-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione

IUPAC name

n/a

SMILES

CCN(c(n(CC(N(CC1)CCN1c1ncccc1)=O)cc1)c1C(N1CC)=O)C1=O

InChI

InChI=1S/C21H26N6O3/c1-3-26-19-16(20(29)27(4-2)21(26)30)8-10-25(19)15-18(28)24-13-11-23(12-14-24)17-7-5-6-9-22-17/h5-10H,3-4,11-15H2,1-2H3

InChI Key

VFMSZHUHXNSCJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.926

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.51

Polar Surface Area

61.766

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L462-0058 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L462-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L462-0058?
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What is the minimum amount of L462-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L462-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L462-0058
  • 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 L462-0058 available by request