D280-0335 Screening compound: 10-(2-furyl)-1,3-dimethyl-5-(4-methyl-3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D280-0335 Screening compound: 10-(2-furyl)-1,3-dimethyl-5-(4-methyl-3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D280-0335 Screening compound: 10-(2-furyl)-1,3-dimethyl-5-(4-methyl-3-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 D280-0335
10-(2-furyl)-1,3-dimethyl-5-(4-methyl-3-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

D280-0335

Molecular Formula

C22H20N4O6 (C22 H20 N4 O6)

Compound Name

10-(2-furyl)-1,3-dimethyl-5-(4-methyl-3-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

13-(furan-2-yl)-35-dimethyl-8-(4-methyl-3-nitrophenyl)-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

Cc(ccc(-c(n(CCOC1c2ccco2)c1c1N(C)C(N2C)=O)c1C2=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H20N4O6/c1-12-6-7-13(11-14(12)26(29)30)17-16-18(23(2)22(28)24(3)21(16)27)19-20(15-5-4-9-31-15)32-10-8-25(17)19/h4-7,9,11,20H,8,10H2,1-3H3/t20-/m0/s1

InChI Key

DAVICWFOBYFZDJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD26967700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.650

Water Solubility, LogSw

-4.14

Polar Surface Area

82.039

Acid Dissociation Constant (pKa)

25.28

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D280-0335 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 D280-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0335?
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What is the minimum amount of D280-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0335
  • 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 D280-0335 available by request