6874-3591 Screening compound: {1-[(4-bromophenyl)methyl]-2-methyl-1H-indol-3-yl}methanol

6874-3591 Screening compound: {1-[(4-bromophenyl)methyl]-2-methyl-1H-indol-3-yl}methanol
6874-3591 Screening compound: {1-[(4-bromophenyl)methyl]-2-methyl-1H-indol-3-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6874-3591
{1-[(4-bromophenyl)methyl]-2-methyl-1H-indol-3-yl}methanol

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

6874-3591

Molecular Formula

C17H16BrNO (C17 H16 BrNO)

Compound Name

{1-[(4-bromophenyl)methyl]-2-methyl-1H-indol-3-yl}methanol

IUPAC name

{1-[(4-bromophenyl)methyl]-2-methyl-1H-indol-3-yl}methanol

SMILES

Cc1c(CO)c(cccc2)c2n1Cc(cc1)ccc1Br

InChI

InChI=1S/C17H16BrNO/c1-12-16(11-20)15-4-2-3-5-17(15)19(12)10-13-6-8-14(18)9-7-13/h2-9,20H,10-11H2,1H3

InChI Key

TYOOQLRVVFFUAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04277517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.22

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.293

Distribution Coefficient, logD

4.293

Water Solubility, LogSw

-4.34

Polar Surface Area

18.554

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

6874-3591 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6874-3591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6874-3591?
Check Price and Availability of 6874-3591, 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 6874-3591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6874-3591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6874-3591
  • 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 6874-3591 available by request