C753-2646 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methyl)-1H-indole-2-carboxylic acid

C753-2646 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methyl)-1H-indole-2-carboxylic acid
C753-2646 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methyl)-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C753-2646
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}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

C753-2646

Molecular Formula

C24H25ClFN3O3 (C24 H25 ClFN3 O3)

Compound Name

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

IUPAC name

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

SMILES

OC(c1c(CNCCCN(CCC2)C2=O)c(cccc2)c2n1Cc(ccc(F)c1)c1Cl)=O

InChI

InChI=1S/C24H25ClFN3O3/c25-20-13-17(26)9-8-16(20)15-29-21-6-2-1-5-18(21)19(23(29)24(31)32)14-27-10-4-12-28-11-3-7-22(28)30/h1-2,5-6,8-9,13,27H,3-4,7,10-12,14-15H2,(H,31,32)

InChI Key

AIMUIBCJWIWNKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-3.32

Polar Surface Area

57.996

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

11.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C753-2646 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C753-2646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C753-2646?
Check Price and Availability of C753-2646, 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 C753-2646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C753-2646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C753-2646
  • 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 C753-2646 available by request