D466-0330 Screening compound: N-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-phenylurea

D466-0330 Screening compound: N-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-phenylurea
D466-0330 Screening compound: N-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0330
N-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-phenylurea

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

D466-0330

Molecular Formula

C21H25N5O (C21 H25 N5 O)

Compound Name

N-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-phenylurea

IUPAC name

3-{11-butyl-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl}-1-phenylurea

SMILES

CCCCN1Cc2nc(cc(cc3)NC(Nc4ccccc4)=O)c3n2CC1

InChI

InChI=1S/C21H25N5O/c1-2-3-11-25-12-13-26-19-10-9-17(14-18(19)24-20(26)15-25)23-21(27)22-16-7-5-4-6-8-16/h4-10,14H,2-3,11-13,15H2,1H3,(H2,22,23,27)

InChI Key

OYTFJJPIIZENEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.320

Distribution Coefficient, logD

4.295

Water Solubility, LogSw

-3.84

Polar Surface Area

47.467

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D466-0330 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 D466-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0330?
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What is the minimum amount of D466-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0330
  • 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 D466-0330 available by request