C753-2672 Screening compound: 3-[({3-[benzyl(methyl)amino]propyl}amino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

C753-2672 Screening compound: 3-[({3-[benzyl(methyl)amino]propyl}amino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
C753-2672 Screening compound: 3-[({3-[benzyl(methyl)amino]propyl}amino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C753-2672
3-[({3-[benzyl(methyl)amino]propyl}amino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

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

C753-2672

Molecular Formula

C28H29ClFN3O2 (C28 H29 ClFN3 O2)

Compound Name

3-[({3-[benzyl(methyl)amino]propyl}amino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

IUPAC name

3-[({3-[benzyl(methyl)amino]propyl}amino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

SMILES

CN(CCCNCc1c(C(O)=O)n(Cc(ccc(F)c2)c2Cl)c2c1cccc2)Cc1ccccc1

InChI

InChI=1S/C28H29ClFN3O2/c1-32(18-20-8-3-2-4-9-20)15-7-14-31-17-24-23-10-5-6-11-26(23)33(27(24)28(34)35)19-21-12-13-22(30)16-25(21)29/h2-6,8-13,16,31H,7,14-15,17-19H2,1H3,(H,34,35)

InChI Key

UHYUJMKIMYZEJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.786

Distribution Coefficient, logD

4.786

Water Solubility, LogSw

-4.52

Polar Surface Area

44.578

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C753-2672 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C753-2672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C753-2672?
Check Price and Availability of C753-2672, 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 C753-2672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C753-2672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C753-2672
  • 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 C753-2672 available by request