7230-0027 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(1H-indol-1-yl)propan-2-ol

7230-0027 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(1H-indol-1-yl)propan-2-ol
7230-0027 Screening compound: 1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(1H-indol-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7230-0027
1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(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

7230-0027

Molecular Formula

C25H23N3O (C25 H23 N3 O)

Compound Name

1-(2-benzyl-1H-1,3-benzodiazol-1-yl)-3-(1H-indol-1-yl)propan-2-ol

IUPAC name

1-(2-benzyl-1H-13-benzodiazol-1-yl)-3-(1H-indol-1-yl)propan-2-ol

SMILES

OC(Cn(cc1)c2c1cccc2)Cn1c(cccc2)c2nc1Cc1ccccc1

InChI

InChI=1S/C25H23N3O/c29-21(17-27-15-14-20-10-4-6-12-23(20)27)18-28-24-13-7-5-11-22(24)26-25(28)16-19-8-2-1-3-9-19/h1-15,21,29H,16-18H2/t21-/m0/s1

InChI Key

DTULNVHCDCVZTD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06002161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.192

Distribution Coefficient, logD

5.192

Water Solubility, LogSw

-5.78

Polar Surface Area

29.602

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

7230-0027 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7230-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7230-0027?
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What is the minimum amount of 7230-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7230-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7230-0027
  • 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 7230-0027 available by request