D280-0197 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D280-0197 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D280-0197 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-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 D280-0197
5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-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

D280-0197

Molecular Formula

C24H22N4O6 (C24 H22 N4 O6)

Compound Name

5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-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

8-(4-methoxyphenyl)-35-dimethyl-13-(2-nitrophenyl)-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CN(c1c(C(c(cccc2)c2[N+]([O-])=O)OCC2)n2c(-c(cc2)ccc2OC)c1C(N1C)=O)C1=O

InChI

InChI=1S/C24H22N4O6/c1-25-20-18(23(29)26(2)24(25)30)19(14-8-10-15(33-3)11-9-14)27-12-13-34-22(21(20)27)16-6-4-5-7-17(16)28(31)32/h4-11,22H,12-13H2,1-3H3/t22-/m1/s1

InChI Key

HSSXVOIEBQIZPO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14816595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-4.30

Polar Surface Area

81.004

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D280-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0197?
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What is the minimum amount of D280-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0197
  • 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 D280-0197 available by request