C201-0931 Screening compound: 2-(3-benzyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C201-0931 Screening compound: 2-(3-benzyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
C201-0931 Screening compound: 2-(3-benzyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0931
2-(3-benzyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl)-N-(3,4,5-trimethoxyphenyl)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

C201-0931

Molecular Formula

C24H23N5O6 (C24 H23 N5 O6)

Compound Name

2-(3-benzyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-(3-benzyl-24-dioxo-1234-tetrahydropteridin-1-yl)-N-(345-trimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CN(c2c(C(N3Cc4ccccc4)=O)nccn2)C3=O)=O)cc(OC)c1OC

InChI

InChI=1S/C24H23N5O6/c1-33-17-11-16(12-18(34-2)21(17)35-3)27-19(30)14-28-22-20(25-9-10-26-22)23(31)29(24(28)32)13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,27,30)

InChI Key

HYNKKRLHXDWDBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.115

Distribution Coefficient, logD

2.115

Water Solubility, LogSw

-3.06

Polar Surface Area

97.634

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C201-0931 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 C201-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0931?
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What is the minimum amount of C201-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0931
  • 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 C201-0931 available by request