D280-0487 Screening compound: 5-(4-methoxyphenyl)-1,3,7,7-tetramethyl-10-[(E)-2-phenyl-1-ethenyl]-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D280-0487 Screening compound: 5-(4-methoxyphenyl)-1,3,7,7-tetramethyl-10-[(E)-2-phenyl-1-ethenyl]-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D280-0487 Screening compound: 5-(4-methoxyphenyl)-1,3,7,7-tetramethyl-10-[(E)-2-phenyl-1-ethenyl]-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 D280-0487
5-(4-methoxyphenyl)-1,3,7,7-tetramethyl-10-[(E)-2-phenyl-1-ethenyl]-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

D280-0487

Molecular Formula

C28H29N3O4 (C28 H29 N3 O4)

Compound Name

5-(4-methoxyphenyl)-1,3,7,7-tetramethyl-10-[(E)-2-phenyl-1-ethenyl]-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

IUPAC name

8-(4-methoxyphenyl)-351010-tetramethyl-13-[(1E)-2-phenylethenyl]-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CC(C)(COC(/C=C/c1ccccc1)c1c2N(C)C(N3C)=O)n1c(-c(cc1)ccc1OC)c2C3=O

InChI

InChI=1S/C28H29N3O4/c1-28(2)17-35-21(16-11-18-9-7-6-8-10-18)24-25-22(26(32)30(4)27(33)29(25)3)23(31(24)28)19-12-14-20(34-5)15-13-19/h6-16,21H,17H2,1-5H3/t21-/m0/s1

InChI Key

JOHYNHLDSHAVHX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14816645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.065

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-4.88

Polar Surface Area

49.088

Acid Dissociation Constant (pKa)

27.18

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D280-0487 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D280-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0487?
Check Price and Availability of D280-0487, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D280-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0487
  • 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 D280-0487 available by request