D359-0781 Screening compound: 1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-(4-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D359-0781 Screening compound: 1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-(4-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D359-0781 Screening compound: 1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-(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 D359-0781
1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-(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

D359-0781

Molecular Formula

C27H29N3O3 (C27 H29 N3 O3)

Compound Name

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

351010-tetramethyl-8-(3-methylphenyl)-13-(4-methylphenyl)-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CC(C)(COC(c1c2N(C)C(N3C)=O)c4ccc(C)cc4)n1c(-c1cc(C)ccc1)c2C3=O

InChI

InChI=1S/C27H29N3O3/c1-16-10-12-18(13-11-16)24-23-22-20(25(31)29(6)26(32)28(22)5)21(19-9-7-8-17(2)14-19)30(23)27(3,4)15-33-24/h7-14,24H,15H2,1-6H3/t24-/m1/s1

InChI Key

QRIQNYOKNZZRKV-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27581749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

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

5.247

Distribution Coefficient, logD

5.247

Water Solubility, LogSw

-5.14

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

33.30

References: we are preparing a list of scientific research reports with D359-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0781
  • 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 D359-0781 available by request