L462-0494 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide

L462-0494 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide
L462-0494 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L462-0494
N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-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

L462-0494

Molecular Formula

C23H28ClN5O3 (C23 H28 ClN5 O3)

Compound Name

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

IUPAC name

N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-{13-dimethyl-24-dioxo-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-7-yl}acetamide

SMILES

CN(c(n(CC(NCC1CCN(Cc2cccc(Cl)c2)CC1)=O)cc1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C23H28ClN5O3/c1-26-21-19(22(31)27(2)23(26)32)8-11-29(21)15-20(30)25-13-16-6-9-28(10-7-16)14-17-4-3-5-18(24)12-17/h3-5,8,11-12,16H,6-7,9-10,13-15H2,1-2H3,(H,25,30)

InChI Key

QFROEMKZBNVIJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

0.909

Water Solubility, LogSw

-3.66

Polar Surface Area

61.888

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with L462-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L462-0494?
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What is the minimum amount of L462-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L462-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L462-0494
  • 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 L462-0494 available by request