L462-0066 Screening compound: 1,3-diethyl-7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

L462-0066 Screening compound: 1,3-diethyl-7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
L462-0066 Screening compound: 1,3-diethyl-7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L462-0066
1,3-diethyl-7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-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

L462-0066

Molecular Formula

C23H29N5O4 (C23 H29 N5 O4)

Compound Name

1,3-diethyl-7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

IUPAC name

13-diethyl-7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1H2H3H4H7H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

CCN(c(n(CC(N(CC1)CCN1c(cc1)ccc1OC)=O)cc1)c1C(N1CC)=O)C1=O

InChI

InChI=1S/C23H29N5O4/c1-4-27-21-19(22(30)28(5-2)23(27)31)10-11-26(21)16-20(29)25-14-12-24(13-15-25)17-6-8-18(32-3)9-7-17/h6-11H,4-5,12-16H2,1-3H3

InChI Key

XABLMIHFIXFPRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-2.72

Polar Surface Area

60.798

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with L462-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L462-0066?
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What is the minimum amount of L462-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L462-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L462-0066
  • 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 L462-0066 available by request