D280-0436 Screening compound: 10-(3-ethoxy-4-hydroxyphenyl)-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

D280-0436 Screening compound: 10-(3-ethoxy-4-hydroxyphenyl)-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
D280-0436 Screening compound: 10-(3-ethoxy-4-hydroxyphenyl)-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 D280-0436
10-(3-ethoxy-4-hydroxyphenyl)-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

D280-0436

Molecular Formula

C28H31N3O5 (C28 H31 N3 O5)

Compound Name

10-(3-ethoxy-4-hydroxyphenyl)-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-(3-ethoxy-4-hydroxyphenyl)-351010-tetramethyl-8-(4-methylphenyl)-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CCOc(cc(C(c1c2N(C)C(N3C)=O)OCC(C)(C)n1c(-c1ccc(C)cc1)c2C3=O)cc1)c1O

InChI

InChI=1S/C28H31N3O5/c1-7-35-20-14-18(12-13-19(20)32)25-24-23-21(26(33)30(6)27(34)29(23)5)22(17-10-8-16(2)9-11-17)31(24)28(3,4)15-36-25/h8-14,25,32H,7,15H2,1-6H3/t25-/m1/s1

InChI Key

QSNCGYKTUNFDFZ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD26967727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.19

Polar Surface Area

65.061

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with D280-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D280-0436?
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What is the minimum amount of D280-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D280-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D280-0436
  • 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 D280-0436 available by request