8018-3159 Screening compound: 10-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

8018-3159 Screening compound: 10-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
8018-3159 Screening compound: 10-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3159
10-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-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

8018-3159

Molecular Formula

C24H21N3O5 (C24 H21 N3 O5)

Compound Name

10-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

IUPAC name

13-(2H-13-benzodioxol-5-yl)-35-dimethyl-8-phenyl-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CN(c1c(C(c(cc2)cc3c2OCO3)OCC2)n2c(-c2ccccc2)c1C(N1C)=O)C1=O

InChI

InChI=1S/C24H21N3O5/c1-25-20-18(23(28)26(2)24(25)29)19(14-6-4-3-5-7-14)27-10-11-30-22(21(20)27)15-8-9-16-17(12-15)32-13-31-16/h3-9,12,22H,10-11,13H2,1-2H3/t22-/m1/s1

InChI Key

JPHHVRWWYWAJTF-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06790877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.11

Polar Surface Area

57.495

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8018-3159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3159?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3159
  • 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 8018-3159 available by request