2994-5749 Screening compound: 2-{[4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl]oxy}ethyl benzoate

2994-5749 Screening compound: 2-{[4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl]oxy}ethyl benzoate
2994-5749 Screening compound: 2-{[4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl]oxy}ethyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2994-5749
2-{[4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl]oxy}ethyl benzoate

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

2994-5749

Molecular Formula

C17H23N5O3 (C17 H23 N5 O3)

Compound Name

2-{[4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl]oxy}ethyl benzoate

IUPAC name

2-{[4-(ethylamino)-6-[(propan-2-yl)amino]-135-triazin-2-yl]oxy}ethyl benzoate

SMILES

CCNc1nc(OCCOC(c2ccccc2)=O)nc(NC(C)C)n1

InChI

InChI=1S/C17H23N5O3/c1-4-18-15-20-16(19-12(2)3)22-17(21-15)25-11-10-24-14(23)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H2,18,19,20,21,22)

InChI Key

SDGDIXYIFOEGKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01806660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

3.929

Water Solubility, LogSw

-3.90

Polar Surface Area

79.980

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

2994-5749 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 2994-5749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2994-5749?
Check Price and Availability of 2994-5749, 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 2994-5749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2994-5749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2994-5749
  • 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 2994-5749 available by request