D359-0780 Screening compound: 1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D359-0780 Screening compound: 1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D359-0780 Screening compound: 1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-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 D359-0780
1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-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

D359-0780

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-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

351010-tetramethyl-8-(3-methylphenyl)-13-phenyl-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CC(C)(COC(c1c2N(C)C(N3C)=O)c4ccccc4)n1c(-c1cc(C)ccc1)c2C3=O

InChI

InChI=1S/C26H27N3O3/c1-16-10-9-13-18(14-16)20-19-21(27(4)25(31)28(5)24(19)30)22-23(17-11-7-6-8-12-17)32-15-26(2,3)29(20)22/h6-14,23H,15H2,1-5H3/t23-/m1/s1

InChI Key

URHCMVTZJVTWDM-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27581748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.828

Distribution Coefficient, logD

4.828

Water Solubility, LogSw

-4.81

Polar Surface Area

41.302

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

D359-0780 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D359-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0780?
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What is the minimum amount of D359-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0780
  • 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 D359-0780 available by request