F462-0487 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-[4-(propan-2-yl)phenyl]acetamide

F462-0487 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-[4-(propan-2-yl)phenyl]acetamide
F462-0487 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-0487
2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-[4-(propan-2-yl)phenyl]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

F462-0487

Molecular Formula

C24H22ClN5O3 (C24 H22 ClN5 O3)

Compound Name

2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-{3-[(2-chlorophenyl)methyl]-24-dioxo-1234-tetrahydropteridin-1-yl}-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(CN(c1c(C(N2Cc(cccc3)c3Cl)=O)nccn1)C2=O)=O

InChI

InChI=1S/C24H22ClN5O3/c1-15(2)16-7-9-18(10-8-16)28-20(31)14-29-22-21(26-11-12-27-22)23(32)30(24(29)33)13-17-5-3-4-6-19(17)25/h3-12,15H,13-14H2,1-2H3,(H,28,31)

InChI Key

CEFZCKBZAWXCHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27130877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.556

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.56

Polar Surface Area

74.656

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

F462-0487 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 F462-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-0487?
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What is the minimum amount of F462-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-0487
  • 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 F462-0487 available by request