T977-1217 Screening compound: N-[(pyridin-4-yl)methyl]-2-(thiophen-3-yl)-6H,7H-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide

T977-1217 Screening compound: N-[(pyridin-4-yl)methyl]-2-(thiophen-3-yl)-6H,7H-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide
T977-1217 Screening compound: N-[(pyridin-4-yl)methyl]-2-(thiophen-3-yl)-6H,7H-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T977-1217
N-[(pyridin-4-yl)methyl]-2-(thiophen-3-yl)-6H,7H-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide

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

T977-1217

Molecular Formula

C17H14N4O3S (C17 H14 N4 O3 S)

Compound Name

N-[(pyridin-4-yl)methyl]-2-(thiophen-3-yl)-6H,7H-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide

IUPAC name

N-[(pyridin-4-yl)methyl]-2-(thiophen-3-yl)-6H7H-[14]dioxino[23-d]pyrimidine-4-carboxamide

SMILES

O=C(c1nc(-c2cscc2)nc2c1OCCO2)NCc1ccncc1

InChI

InChI=1S/C17H14N4O3S/c22-16(19-9-11-1-4-18-5-2-11)13-14-17(24-7-6-23-14)21-15(20-13)12-3-8-25-10-12/h1-5,8,10H,6-7,9H2,(H,19,22)

InChI Key

RXTKLWKPHPWQKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.852

Distribution Coefficient, logD

1.849

Water Solubility, LogSw

-2.11

Polar Surface Area

70.595

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

T977-1217 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T977-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T977-1217?
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What is the minimum amount of T977-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T977-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T977-1217
  • 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 T977-1217 available by request