D280-0461 Screening compound: 5-(4-chlorophenyl)-10-(2-hydroxy-3-methoxyphenyl)-1,3,7,7-tetramethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D280-0461 Screening compound: 5-(4-chlorophenyl)-10-(2-hydroxy-3-methoxyphenyl)-1,3,7,7-tetramethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D280-0461 Screening compound: 5-(4-chlorophenyl)-10-(2-hydroxy-3-methoxyphenyl)-1,3,7,7-tetramethyl-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 D280-0461
5-(4-chlorophenyl)-10-(2-hydroxy-3-methoxyphenyl)-1,3,7,7-tetramethyl-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

D280-0461

Molecular Formula

C26H26ClN3O5 (C26 H26 ClN3 O5)

Compound Name

5-(4-chlorophenyl)-10-(2-hydroxy-3-methoxyphenyl)-1,3,7,7-tetramethyl-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-chlorophenyl)-13-(2-hydroxy-3-methoxyphenyl)-351010-tetramethyl-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CC(C)(COC(c1c2N(C)C(N3C)=O)c(cccc4OC)c4O)n1c(-c(cc1)ccc1Cl)c2C3=O

InChI

InChI=1S/C26H26ClN3O5/c1-26(2)13-35-23(16-7-6-8-17(34-5)22(16)31)21-20-18(24(32)29(4)25(33)28(20)3)19(30(21)26)14-9-11-15(27)12-10-14/h6-12,23,31H,13H2,1-5H3/t23-/m1/s1

InChI Key

WYEOYBDDUTZZRN-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14816631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.665

Water Solubility, LogSw

-4.85

Polar Surface Area

64.412

Acid Dissociation Constant (pKa)

9.42

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 D280-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0461?
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What is the minimum amount of D280-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0461
  • 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 D280-0461 available by request