D280-0418 Screening compound: 10-(4-methoxyphenyl)-1,3,7,7-tetramethyl-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

D280-0418 Screening compound: 10-(4-methoxyphenyl)-1,3,7,7-tetramethyl-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
D280-0418 Screening compound: 10-(4-methoxyphenyl)-1,3,7,7-tetramethyl-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 D280-0418
10-(4-methoxyphenyl)-1,3,7,7-tetramethyl-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

D280-0418

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

10-(4-methoxyphenyl)-1,3,7,7-tetramethyl-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-(4-methoxyphenyl)-351010-tetramethyl-8-(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)c(cc4)ccc4OC)n1c(-c1ccc(C)cc1)c2C3=O

InChI

InChI=1S/C27H29N3O4/c1-16-7-9-17(10-8-16)21-20-22(28(4)26(32)29(5)25(20)31)23-24(34-15-27(2,3)30(21)23)18-11-13-19(33-6)14-12-18/h7-14,24H,15H2,1-6H3/t24-/m1/s1

InChI Key

PDCAJXMQMMPYNO-XMMPIXPASA-N

MDL Number (MFCD)

MFCD26967719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-4.82

Polar Surface Area

48.846

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 D280-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0418?
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What is the minimum amount of D280-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0418
  • 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 D280-0418 available by request