3237-0342 Screening compound: 1-(anilinomethyl)-3-bromo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol

3237-0342 Screening compound: 1-(anilinomethyl)-3-bromo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol
3237-0342 Screening compound: 1-(anilinomethyl)-3-bromo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0342
1-(anilinomethyl)-3-bromo-6,7,8,9-tetrahydrodibenzo[b,d]furan-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

3237-0342

Molecular Formula

C19H18BrNO2 (C19 H18 BrNO2)

Compound Name

1-(anilinomethyl)-3-bromo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol

IUPAC name

5-bromo-3-[(phenylamino)methyl]-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-ol

SMILES

Oc(c(CNc1ccccc1)c(c(CCCC1)c1o1)c1c1)c1Br

InChI

InChI=1S/C19H18BrNO2/c20-15-10-17-18(13-8-4-5-9-16(13)23-17)14(19(15)22)11-21-12-6-2-1-3-7-12/h1-3,6-7,10,21-22H,4-5,8-9,11H2

InChI Key

NCSGGJZMQVTIBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00392180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.231

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.36

Polar Surface Area

34.068

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 3237-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0342?
Check Price and Availability of 3237-0342, 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 3237-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0342
  • 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 3237-0342 available by request