C614-0754 Screening compound: 4-{[4-(1-benzyl-2-methyl-1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

C614-0754 Screening compound: 4-{[4-(1-benzyl-2-methyl-1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
C614-0754 Screening compound: 4-{[4-(1-benzyl-2-methyl-1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0754
4-{[4-(1-benzyl-2-methyl-1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

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

C614-0754

Molecular Formula

C27H24N4O2S2 (C27 H24 N4 O2 S2)

Compound Name

4-{[4-(1-benzyl-2-methyl-1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

IUPAC name

4-{[4-(1-benzyl-2-methyl-1H-indol-3-yl)-1236-tetrahydropyridin-1-yl]sulfonyl}-213-benzothiadiazole

SMILES

Cc(n(Cc1ccccc1)c1c2cccc1)c2C(CC1)=CCN1S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C27H24N4O2S2/c1-19-26(22-10-5-6-12-24(22)31(19)18-20-8-3-2-4-9-20)21-14-16-30(17-15-21)35(32,33)25-13-7-11-23-27(25)29-34-28-23/h2-14H,15-18H2,1H3

InChI Key

AFUPHQUGEDBFII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.911

Distribution Coefficient, logD

5.911

Water Solubility, LogSw

-5.93

Polar Surface Area

53.831

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C614-0754 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C614-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0754?
Check Price and Availability of C614-0754, 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 C614-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0754
  • 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 C614-0754 available by request