D280-0453 Screening compound: 10-(2-fluorophenyl)-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

D280-0453 Screening compound: 10-(2-fluorophenyl)-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
D280-0453 Screening compound: 10-(2-fluorophenyl)-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 D280-0453
10-(2-fluorophenyl)-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

D280-0453

Molecular Formula

C26H26FN3O3 (C26 H26 FN3 O3)

Compound Name

10-(2-fluorophenyl)-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-(2-fluorophenyl)-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(cccc4)c4F)n1c(-c1ccc(C)cc1)c2C3=O

InChI

InChI=1S/C26H26FN3O3/c1-15-10-12-16(13-11-15)20-19-21(28(4)25(32)29(5)24(19)31)22-23(17-8-6-7-9-18(17)27)33-14-26(2,3)30(20)22/h6-13,23H,14H2,1-5H3/t23-/m1/s1

InChI Key

XFXHQZYDPDPDRN-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD26967736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

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

4.886

Distribution Coefficient, logD

4.886

Water Solubility, LogSw

-4.83

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

References: we are preparing a list of scientific research reports with D280-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0453?
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What is the minimum amount of D280-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0453
  • 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 D280-0453 available by request