C753-2634 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

C753-2634 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
C753-2634 Screening compound: 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C753-2634
3-({[(2H-1,3-benzodioxol-5-yl)methyl]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

C753-2634

Molecular Formula

C25H20ClFN2O4 (C25 H20 ClFN2 O4)

Compound Name

3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

IUPAC name

3-({[(2H-13-benzodioxol-5-yl)methyl]amino}methyl)-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

SMILES

OC(c1c(CNCc(cc2)cc3c2OCO3)c(cccc2)c2n1Cc(ccc(F)c1)c1Cl)=O

InChI

InChI=1S/C25H20ClFN2O4/c26-20-10-17(27)7-6-16(20)13-29-21-4-2-1-3-18(21)19(24(29)25(30)31)12-28-11-15-5-8-22-23(9-15)33-14-32-22/h1-10,28H,11-14H2,(H,30,31)

InChI Key

YJFHNKAPLPUGAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.9

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

4.971

Distribution Coefficient, logD

4.971

Water Solubility, LogSw

-4.68

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

C753-2634 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C753-2634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C753-2634?
Check Price and Availability of C753-2634, 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 C753-2634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C753-2634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C753-2634
  • 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 C753-2634 available by request