5511-0402 Screening compound: 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-chlorophenol

5511-0402 Screening compound: 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-chlorophenol
5511-0402 Screening compound: 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-chlorophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5511-0402
4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-chlorophenol

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

5511-0402

Molecular Formula

C25H21ClN2O (C25 H21 ClN2 O)

Compound Name

4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-chlorophenol

IUPAC name

4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-chlorophenol

SMILES

Cc1c(C(c2c(C)[nH]c3c2cccc3)c(cc2)cc(Cl)c2O)c(cccc2)c2[nH]1

InChI

InChI=1S/C25H21ClN2O/c1-14-23(17-7-3-5-9-20(17)27-14)25(16-11-12-22(29)19(26)13-16)24-15(2)28-21-10-6-4-8-18(21)24/h3-13,25,27-29H,1-2H3

InChI Key

IVHJEXQJXNUPEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03080560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.91

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.603

Distribution Coefficient, logD

6.544

Water Solubility, LogSw

-6.06

Polar Surface Area

36.095

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

5511-0402 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 5511-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5511-0402?
Check Price and Availability of 5511-0402, 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 5511-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5511-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5511-0402
  • 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 5511-0402 available by request