2994-5762 Screening compound: 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate

2994-5762 Screening compound: 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate
2994-5762 Screening compound: 2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2994-5762
2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}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

2994-5762

Molecular Formula

C16H21N5O2S (C16 H21 N5 O2 S)

Compound Name

2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl benzoate

IUPAC name

2-{[46-bis(dimethylamino)-135-triazin-2-yl]sulfanyl}ethyl benzoate

SMILES

CN(C)c1nc(SCCOC(c2ccccc2)=O)nc(N(C)C)n1

InChI

InChI=1S/C16H21N5O2S/c1-20(2)14-17-15(21(3)4)19-16(18-14)24-11-10-23-13(22)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3

InChI Key

UHCGLPIIAIQGKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01806673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-3.93

Polar Surface Area

53.066

Acid Dissociation Constant (pKa)

21.92

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

2994-5762 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 2994-5762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2994-5762?
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What is the minimum amount of 2994-5762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2994-5762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2994-5762
  • 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 2994-5762 available by request