3735-0038 Screening compound: 1,3,4a-triphenyl-3,4,4a,5-tetrahydropyrido[1,2-a][1,3]benzimidazole

3735-0038 Screening compound: 1,3,4a-triphenyl-3,4,4a,5-tetrahydropyrido[1,2-a][1,3]benzimidazole
3735-0038 Screening compound: 1,3,4a-triphenyl-3,4,4a,5-tetrahydropyrido[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3735-0038
1,3,4a-triphenyl-3,4,4a,5-tetrahydropyrido[1,2-a][1,3]benzimidazole

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

3735-0038

Molecular Formula

C29H24N2 (C29 H24 N2)

Compound Name

1,3,4a-triphenyl-3,4,4a,5-tetrahydropyrido[1,2-a][1,3]benzimidazole

IUPAC name

91113-triphenyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3512-tetraene

SMILES

C1C(c2ccccc2)(Nc2c3cccc2)N3C(c2ccccc2)=CC1c1ccccc1

InChI

InChI=1S/C29H24N2/c1-4-12-22(13-5-1)24-20-28(23-14-6-2-7-15-23)31-27-19-11-10-18-26(27)30-29(31,21-24)25-16-8-3-9-17-25/h1-20,24,30H,21H2

InChI Key

RAWZQSIBVZYFPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01087672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.159

Distribution Coefficient, logD

7.159

Water Solubility, LogSw

-6.21

Polar Surface Area

13.454

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

10.30

3735-0038 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3735-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3735-0038?
Check Price and Availability of 3735-0038, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3735-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3735-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3735-0038
  • 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 3735-0038 available by request