D280-0419 Screening compound: 1,3,7,7-tetramethyl-5-(4-methylphenyl)-10-(4-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D280-0419 Screening compound: 1,3,7,7-tetramethyl-5-(4-methylphenyl)-10-(4-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D280-0419 Screening compound: 1,3,7,7-tetramethyl-5-(4-methylphenyl)-10-(4-nitrophenyl)-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 D280-0419
1,3,7,7-tetramethyl-5-(4-methylphenyl)-10-(4-nitrophenyl)-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

D280-0419

Molecular Formula

C26H26N4O5 (C26 H26 N4 O5)

Compound Name

1,3,7,7-tetramethyl-5-(4-methylphenyl)-10-(4-nitrophenyl)-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-(4-methylphenyl)-13-(4-nitrophenyl)-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)ccc4[N+]([O-])=O)n1c(-c1ccc(C)cc1)c2C3=O

InChI

InChI=1S/C26H26N4O5/c1-15-6-8-16(9-7-15)20-19-21(27(4)25(32)28(5)24(19)31)22-23(35-14-26(2,3)29(20)22)17-10-12-18(13-11-17)30(33)34/h6-13,23H,14H2,1-5H3/t23-/m1/s1

InChI Key

KRMQFIPGKGCJEJ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD26967720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.715

Distribution Coefficient, logD

4.715

Water Solubility, LogSw

-4.73

Polar Surface Area

74.684

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 D280-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0419?
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What is the minimum amount of D280-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0419
  • 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 D280-0419 available by request