T977-1204 Screening compound: (4-methylpiperazino)[2-(3-thienyl)-6,7-dihydro[1,4]dioxino[2,3-d]pyrimidin-4-yl]methanone

T977-1204 Screening compound: (4-methylpiperazino)[2-(3-thienyl)-6,7-dihydro[1,4]dioxino[2,3-d]pyrimidin-4-yl]methanone
T977-1204 Screening compound: (4-methylpiperazino)[2-(3-thienyl)-6,7-dihydro[1,4]dioxino[2,3-d]pyrimidin-4-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T977-1204
(4-methylpiperazino)[2-(3-thienyl)-6,7-dihydro[1,4]dioxino[2,3-d]pyrimidin-4-yl]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

T977-1204

Molecular Formula

C16H18N4O3S (C16 H18 N4 O3 S)

Compound Name

(4-methylpiperazino)[2-(3-thienyl)-6,7-dihydro[1,4]dioxino[2,3-d]pyrimidin-4-yl]methanone

IUPAC name

1-methyl-4-[2-(thiophen-3-yl)-6H7H-[14]dioxino[23-d]pyrimidine-4-carbonyl]piperazine

SMILES

CN(CC1)CCN1C(c1nc(-c2cscc2)nc2c1OCCO2)=O

InChI

InChI=1S/C16H18N4O3S/c1-19-3-5-20(6-4-19)16(21)12-13-15(23-8-7-22-13)18-14(17-12)11-2-9-24-10-11/h2,9-10H,3-8H2,1H3

InChI Key

UUJOUFYEQFWISD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.587

Distribution Coefficient, logD

1.455

Water Solubility, LogSw

-2.09

Polar Surface Area

56.878

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

T977-1204 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with T977-1204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T977-1204?
Check Price and Availability of T977-1204, 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 T977-1204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T977-1204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T977-1204
  • 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 T977-1204 available by request