2196-0488 Screening compound: 2-[3-(1H-1,3-benzodiazol-2-yl)-4-(4-methoxyphenyl)butan-2-yl]-1H-1,3-benzodiazole

2196-0488 Screening compound: 2-[3-(1H-1,3-benzodiazol-2-yl)-4-(4-methoxyphenyl)butan-2-yl]-1H-1,3-benzodiazole
2196-0488 Screening compound: 2-[3-(1H-1,3-benzodiazol-2-yl)-4-(4-methoxyphenyl)butan-2-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2196-0488
2-[3-(1H-1,3-benzodiazol-2-yl)-4-(4-methoxyphenyl)butan-2-yl]-1H-1,3-benzodiazole

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

2196-0488

Molecular Formula

C25H24N4O (C25 H24 N4 O)

Compound Name

2-[3-(1H-1,3-benzodiazol-2-yl)-4-(4-methoxyphenyl)butan-2-yl]-1H-1,3-benzodiazole

IUPAC name

2-[3-(1H-13-benzodiazol-2-yl)-4-(4-methoxyphenyl)butan-2-yl]-1H-13-benzodiazole

SMILES

CC(C(Cc(cc1)ccc1OC)c1nc(cccc2)c2[nH]1)c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C25H24N4O/c1-16(24-26-20-7-3-4-8-21(20)27-24)19(15-17-11-13-18(30-2)14-12-17)25-28-22-9-5-6-10-23(22)29-25/h3-14,16,19H,15H2,1-2H3,(H,26,27)(H,28,29)

InChI Key

CYYBFUSTFOYCEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.216

Distribution Coefficient, logD

5.055

Water Solubility, LogSw

-5.07

Polar Surface Area

45.821

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2196-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2196-0488?
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What is the minimum amount of 2196-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2196-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2196-0488
  • 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 2196-0488 available by request