D359-0690 Screening compound: 10-(3,4-diethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D359-0690 Screening compound: 10-(3,4-diethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D359-0690 Screening compound: 10-(3,4-diethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)-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 D359-0690
10-(3,4-diethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)-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

D359-0690

Molecular Formula

C28H31N3O5 (C28 H31 N3 O5)

Compound Name

10-(3,4-diethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)-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-(34-diethoxyphenyl)-35-dimethyl-8-(4-methylphenyl)-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CCOc(ccc(C(c1c2N(C)C(N3C)=O)OCCn1c(-c1ccc(C)cc1)c2C3=O)c1)c1OCC

InChI

InChI=1S/C28H31N3O5/c1-6-34-20-13-12-19(16-21(20)35-7-2)26-25-24-22(27(32)30(5)28(33)29(24)4)23(31(25)14-15-36-26)18-10-8-17(3)9-11-18/h8-13,16,26H,6-7,14-15H2,1-5H3/t26-/m1/s1

InChI Key

LCPSEYJYOWWSLK-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27581698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.601

Distribution Coefficient, logD

4.601

Water Solubility, LogSw

-4.47

Polar Surface Area

54.800

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with D359-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0690?
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What is the minimum amount of D359-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0690
  • 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 D359-0690 available by request