D271-0674 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylsulfanyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0674 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylsulfanyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0674 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylsulfanyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0674
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylsulfanyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

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

D271-0674

Molecular Formula

C18H19N3O4S (C18 H19 N3 O4 S)

Compound Name

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylsulfanyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-2-(ethylsulfanyl)-1-methyl-1H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CCSC(N(C)C(NC(C1)=O)=C2C1c(cc1)cc3c1OCCO3)=NC2=O

InChI

InChI=1S/C18H19N3O4S/c1-3-26-18-20-17(23)15-11(9-14(22)19-16(15)21(18)2)10-4-5-12-13(8-10)25-7-6-24-12/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,19,22)/t11-/m0/s1

InChI Key

OMGQPYFMKLAHJA-NSHDSACASA-N

MDL Number (MFCD)

MFCD14816324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.882

Distribution Coefficient, logD

0.715

Water Solubility, LogSw

-2.43

Polar Surface Area

66.177

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D271-0674 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D271-0674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0674?
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What is the minimum amount of D271-0674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0674
  • 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 D271-0674 available by request