D044-0036 Screening compound: N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methylbenzamide

D044-0036 Screening compound: N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methylbenzamide
D044-0036 Screening compound: N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0036
N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methylbenzamide

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

D044-0036

Molecular Formula

C24H28N4O (C24 H28 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(Nc(cc1)cc2c1n(CCN(C1)C3CCCCC3)c1n2)=O

InChI

InChI=1S/C24H28N4O/c1-17-7-5-6-10-20(17)24(29)25-18-11-12-22-21(15-18)26-23-16-27(13-14-28(22)23)19-8-3-2-4-9-19/h5-7,10-12,15,19H,2-4,8-9,13-14,16H2,1H3,(H,25,29)

InChI Key

XUHQFBIMOLWVNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.452

Water Solubility, LogSw

-4.21

Polar Surface Area

37.558

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with D044-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0036?
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What is the minimum amount of D044-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0036
  • 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 D044-0036 available by request