T977-0392 Screening compound: 4-{2-cyclopentyl-6H,7H-[1,4]dioxino[2,3-d]pyrimidine-4-carbonyl}morpholine

T977-0392 Screening compound: 4-{2-cyclopentyl-6H,7H-[1,4]dioxino[2,3-d]pyrimidine-4-carbonyl}morpholine
T977-0392 Screening compound: 4-{2-cyclopentyl-6H,7H-[1,4]dioxino[2,3-d]pyrimidine-4-carbonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound T977-0392
4-{2-cyclopentyl-6H,7H-[1,4]dioxino[2,3-d]pyrimidine-4-carbonyl}morpholine

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

T977-0392

Molecular Formula

C16H21N3O4 (C16 H21 N3 O4)

Compound Name

4-{2-cyclopentyl-6H,7H-[1,4]dioxino[2,3-d]pyrimidine-4-carbonyl}morpholine

IUPAC name

4-{2-cyclopentyl-6H7H-[14]dioxino[23-d]pyrimidine-4-carbonyl}morpholine

SMILES

O=C(c1nc(C2CCCC2)nc2c1OCCO2)N1CCOCC1

InChI

InChI=1S/C16H21N3O4/c20-16(19-5-7-21-8-6-19)12-13-15(23-10-9-22-13)18-14(17-12)11-3-1-2-4-11/h11H,1-10H2

InChI Key

BCKSAJPSWHKLKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

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

1.514

Distribution Coefficient, logD

1.514

Water Solubility, LogSw

-1.55

Polar Surface Area

60.850

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.80

T977-0392 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T977-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T977-0392?
Check Price and Availability of T977-0392, 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 T977-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T977-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T977-0392
  • 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 T977-0392 available by request