D044-0043 Screening compound: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-phenylurea

D044-0043 Screening compound: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-phenylurea
D044-0043 Screening compound: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0043
N-(2-cyclohexyl-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

D044-0043

Molecular Formula

C23H27N5O (C23 H27 N5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(Nc1ccccc1)Nc(cc1)cc2c1n(CCN(C1)C3CCCCC3)c1n2

InChI

InChI=1S/C23H27N5O/c29-23(24-17-7-3-1-4-8-17)25-18-11-12-21-20(15-18)26-22-16-27(13-14-28(21)22)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,(H2,24,25,29)

InChI Key

HDXRFGMFRXJWHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.720

Distribution Coefficient, logD

4.691

Water Solubility, LogSw

-4.62

Polar Surface Area

46.770

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D044-0043 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D044-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0043?
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What is the minimum amount of D044-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0043
  • 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 D044-0043 available by request