6154-0057 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-1-yl]propan-2-ol

6154-0057 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-1-yl]propan-2-ol
6154-0057 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6154-0057
1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-1-yl]propan-2-ol

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

6154-0057

Molecular Formula

C32H29N3O2 (C32 H29 N3 O2)

Compound Name

1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-1-yl]propan-2-ol

IUPAC name

1-(2-benzyl-1H-13-benzodiazol-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-1-yl]propan-2-ol

SMILES

COc(cc1)ccc1-c1cc(cccc2)c2n1CC(Cn1c(cccc2)c2nc1Cc1ccccc1)O

InChI

InChI=1S/C32H29N3O2/c1-37-27-17-15-24(16-18-27)31-20-25-11-5-7-13-29(25)34(31)21-26(36)22-35-30-14-8-6-12-28(30)33-32(35)19-23-9-3-2-4-10-23/h2-18,20,26,36H,19,21-22H2,1H3/t26-/m1/s1

InChI Key

VENREUPGBICHPA-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03130462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.111

Distribution Coefficient, logD

7.111

Water Solubility, LogSw

-6.43

Polar Surface Area

35.489

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.60

6154-0057 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 6154-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6154-0057?
Check Price and Availability of 6154-0057, 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 6154-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6154-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6154-0057
  • 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 6154-0057 available by request