5519-0620 Screening compound: 4-bromo-2-({[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]amino}methyl)phenol

5519-0620 Screening compound: 4-bromo-2-({[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]amino}methyl)phenol
5519-0620 Screening compound: 4-bromo-2-({[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]amino}methyl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5519-0620
4-bromo-2-({[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]amino}methyl)phenol

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

5519-0620

Molecular Formula

C17H18BrN3O (C17 H18 BrN3 O)

Compound Name

4-bromo-2-({[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]amino}methyl)phenol

IUPAC name

4-bromo-2-({[1-(propan-2-yl)-1H-13-benzodiazol-2-yl]amino}methyl)phenol

SMILES

CC(C)n1c(NCc(cc(cc2)Br)c2O)nc2c1cccc2

InChI

InChI=1S/C17H18BrN3O/c1-11(2)21-15-6-4-3-5-14(15)20-17(21)19-10-12-9-13(18)7-8-16(12)22/h3-9,11,22H,10H2,1-2H3,(H,19,20)

InChI Key

KPCMPXSJDILUMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03679221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.409

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-3.97

Polar Surface Area

40.204

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 5519-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5519-0620?
Check Price and Availability of 5519-0620, 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 5519-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5519-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5519-0620
  • 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 5519-0620 available by request