6844-3270 Screening compound: 4-{[5-({2-[(4-aminophenyl)methyl]-1H-1,3-benzodiazol-5-yl}methyl)-1H-1,3-benzodiazol-2-yl]methyl}aniline

6844-3270 Screening compound: 4-{[5-({2-[(4-aminophenyl)methyl]-1H-1,3-benzodiazol-5-yl}methyl)-1H-1,3-benzodiazol-2-yl]methyl}aniline
6844-3270 Screening compound: 4-{[5-({2-[(4-aminophenyl)methyl]-1H-1,3-benzodiazol-5-yl}methyl)-1H-1,3-benzodiazol-2-yl]methyl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6844-3270
4-{[5-({2-[(4-aminophenyl)methyl]-1H-1,3-benzodiazol-5-yl}methyl)-1H-1,3-benzodiazol-2-yl]methyl}aniline

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

6844-3270

Molecular Formula

C29H26N6 (C29 H26 N6)

Compound Name

4-{[5-({2-[(4-aminophenyl)methyl]-1H-1,3-benzodiazol-5-yl}methyl)-1H-1,3-benzodiazol-2-yl]methyl}aniline

IUPAC name

4-{[5-({2-[(4-aminophenyl)methyl]-1H-13-benzodiazol-5-yl}methyl)-1H-13-benzodiazol-2-yl]methyl}aniline

SMILES

Nc1ccc(Cc2nc(cc(Cc(cc3)cc4c3[nH]c(Cc(cc3)ccc3N)n4)cc3)c3[nH]2)cc1

InChI

InChI=1S/C29H26N6/c30-22-7-1-18(2-8-22)16-28-32-24-11-5-20(14-26(24)34-28)13-21-6-12-25-27(15-21)35-29(33-25)17-19-3-9-23(31)10-4-19/h1-12,14-15H,13,16-17,30-31H2,(H,32,34)(H,33,35)

InChI Key

NBKUOQQSIMHZAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07161729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.796

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-4.94

Polar Surface Area

81.599

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

6844-3270 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6844-3270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6844-3270?
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What is the minimum amount of 6844-3270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6844-3270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6844-3270
  • 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 6844-3270 available by request