L462-0353 Screening compound: N-(3-chlorophenyl)-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}-N-ethylacetamide

L462-0353 Screening compound: N-(3-chlorophenyl)-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}-N-ethylacetamide
L462-0353 Screening compound: N-(3-chlorophenyl)-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L462-0353
N-(3-chlorophenyl)-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}-N-ethylacetamide

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

L462-0353

Molecular Formula

C18H19ClN4O3 (C18 H19 ClN4 O3)

Compound Name

N-(3-chlorophenyl)-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}-N-ethylacetamide

IUPAC name

N-(3-chlorophenyl)-2-{13-dimethyl-24-dioxo-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-7-yl}-N-ethylacetamide

SMILES

CCN(C(Cn(cc1)c(N(C)C(N2C)=O)c1C2=O)=O)c1cccc(Cl)c1

InChI

InChI=1S/C18H19ClN4O3/c1-4-23(13-7-5-6-12(19)10-13)15(24)11-22-9-8-14-16(22)20(2)18(26)21(3)17(14)25/h5-10H,4,11H2,1-3H3

InChI Key

GIPOTMKNOHNZFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.662

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-3.40

Polar Surface Area

48.775

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

L462-0353 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 L462-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L462-0353?
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What is the minimum amount of L462-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L462-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L462-0353
  • 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 L462-0353 available by request