D280-0217 Screening compound: 10-(3-allyl-2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D280-0217 Screening compound: 10-(3-allyl-2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D280-0217 Screening compound: 10-(3-allyl-2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-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 D280-0217
10-(3-allyl-2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-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

D280-0217

Molecular Formula

C27H27N3O5 (C27 H27 N3 O5)

Compound Name

10-(3-allyl-2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-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-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]-8-(4-methoxyphenyl)-35-dimethyl-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CN(c1c(C(c(cccc2CC=C)c2O)OCC2)n2c(-c(cc2)ccc2OC)c1C(N1C)=O)C1=O

InChI

InChI=1S/C27H27N3O5/c1-5-7-17-8-6-9-19(24(17)31)25-23-22-20(26(32)29(3)27(33)28(22)2)21(30(23)14-15-35-25)16-10-12-18(34-4)13-11-16/h5-6,8-13,25,31H,1,7,14-15H2,2-4H3/t25-/m1/s1

InChI Key

MIIMDPKRAQGCEF-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14816600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.838

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.64

Polar Surface Area

63.403

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

D280-0217 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D280-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0217?
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What is the minimum amount of D280-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0217
  • 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 D280-0217 available by request