C753-2328 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

C753-2328 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
C753-2328 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C753-2328
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-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

C753-2328

Molecular Formula

C25H21FN2O4 (C25 H21 FN2 O4)

Compound Name

3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

IUPAC name

3-({[(2H-13-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

SMILES

OC(c1c(CNCc(cc2)cc3c2OCO3)c(cccc2)c2n1Cc(cccc1)c1F)=O

InChI

InChI=1S/C25H21FN2O4/c26-20-7-3-1-5-17(20)14-28-21-8-4-2-6-18(21)19(24(28)25(29)30)13-27-12-16-9-10-22-23(11-16)32-15-31-22/h1-11,27H,12-15H2,(H,29,30)

InChI Key

NPRNYKACWMMPSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

4.386

Water Solubility, LogSw

-4.40

Polar Surface Area

57.758

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

11.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C753-2328 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C753-2328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C753-2328?
Check Price and Availability of C753-2328, 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 C753-2328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C753-2328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C753-2328
  • 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 C753-2328 available by request