6738-0011 Screening compound: 1-(3-butyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol

6738-0011 Screening compound: 1-(3-butyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
6738-0011 Screening compound: 1-(3-butyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0011
1-(3-butyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(2-methoxyphenoxy)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

6738-0011

Molecular Formula

C21H27N3O3 (C21 H27 N3 O3)

Compound Name

1-(3-butyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol

IUPAC name

1-(3-butyl-2-imino-23-dihydro-1H-13-benzodiazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol

SMILES

CCCCN(c(cccc1)c1N1CC(COc(cccc2)c2OC)O)C1=N

InChI

InChI=1S/C21H27N3O3/c1-3-4-13-23-17-9-5-6-10-18(17)24(21(23)22)14-16(25)15-27-20-12-8-7-11-19(20)26-2/h5-12,16,22,25H,3-4,13-15H2,1-2H3/t16-/m0/s1

InChI Key

MGAZGMAYUWQADA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04030659

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.954

Distribution Coefficient, logD

3.868

Water Solubility, LogSw

-3.96

Polar Surface Area

53.668

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 6738-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0011?
Check Price and Availability of 6738-0011, 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 6738-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0011
  • 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 6738-0011 available by request