T977-0094 Screening compound: (2-ETHYL-6,7-DIHYDRO[1,4]DIOXINO[2,3-D]PYRIMIDIN-4-YL)[4-(2-PYRIMIDINYL)PIPERAZINO]METHANONE

T977-0094 Screening compound: (2-ETHYL-6,7-DIHYDRO[1,4]DIOXINO[2,3-D]PYRIMIDIN-4-YL)[4-(2-PYRIMIDINYL)PIPERAZINO]METHANONE
T977-0094 Screening compound: (2-ETHYL-6,7-DIHYDRO[1,4]DIOXINO[2,3-D]PYRIMIDIN-4-YL)[4-(2-PYRIMIDINYL)PIPERAZINO]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T977-0094
(2-ETHYL-6,7-DIHYDRO[1,4]DIOXINO[2,3-D]PYRIMIDIN-4-YL)[4-(2-PYRIMIDINYL)PIPERAZINO]METHANONE

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

T977-0094

Molecular Formula

C17H20N6O3 (C17 H20 N6 O3)

Compound Name

(2-ETHYL-6,7-DIHYDRO[1,4]DIOXINO[2,3-D]PYRIMIDIN-4-YL)[4-(2-PYRIMIDINYL)PIPERAZINO]METHANONE

IUPAC name

n/a

SMILES

CCc(nc1C(N(CC2)CCN2c2ncccn2)=O)nc2c1OCCO2

InChI

InChI=1S/C17H20N6O3/c1-2-12-20-13(14-15(21-12)26-11-10-25-14)16(24)22-6-8-23(9-7-22)17-18-4-3-5-19-17/h3-5H,2,6-11H2,1H3

InChI Key

XHDRYIRELUNHNR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.318

Distribution Coefficient, logD

1.318

Water Solubility, LogSw

-1.31

Polar Surface Area

75.268

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

T977-0094 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 T977-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T977-0094?
Check Price and Availability of T977-0094, 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 T977-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T977-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T977-0094
  • 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 T977-0094 available by request