T630-2499 Screening compound: 1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]-2-(1H-indol-3-yl)-1-ethanone

T630-2499 Screening compound: 1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]-2-(1H-indol-3-yl)-1-ethanone
T630-2499 Screening compound: 1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]-2-(1H-indol-3-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-2499
1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]-2-(1H-indol-3-yl)-1-ethanone

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

T630-2499

Molecular Formula

C20H23N5O (C20 H23 N5 O)

Compound Name

1-[4-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]-2-(1H-indol-3-yl)-1-ethanone

IUPAC name

n/a

SMILES

O=C(Cc1c[nH]c2c1cccc2)N(CC1)CCC1c1nnc(C2CC2)[nH]1

InChI

InChI=1S/C20H23N5O/c26-18(11-15-12-21-17-4-2-1-3-16(15)17)25-9-7-14(8-10-25)20-22-19(23-24-20)13-5-6-13/h1-4,12-14,21H,5-11H2,(H,22,23,24)

InChI Key

BBUBGKFKOJXLCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.169

Distribution Coefficient, logD

2.152

Water Solubility, LogSw

-2.58

Polar Surface Area

60.267

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T630-2499 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T630-2499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-2499?
Check Price and Availability of T630-2499, 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 T630-2499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-2499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-2499
  • 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 T630-2499 available by request