D359-0733 Screening compound: 10-(4-isopropylphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

D359-0733 Screening compound: 10-(4-isopropylphenyl)-1,3-dimethyl-5-(3-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
D359-0733 Screening compound: 10-(4-isopropylphenyl)-1,3-dimethyl-5-(3-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 D359-0733
10-(4-isopropylphenyl)-1,3-dimethyl-5-(3-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

D359-0733

Molecular Formula

C27H29N3O3 (C27 H29 N3 O3)

Compound Name

10-(4-isopropylphenyl)-1,3-dimethyl-5-(3-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

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

SMILES

CC(C)c1ccc(C(c2c3N(C)C(N4C)=O)OCCn2c(-c2cc(C)ccc2)c3C4=O)cc1

InChI

InChI=1S/C27H29N3O3/c1-16(2)18-9-11-19(12-10-18)25-24-23-21(26(31)29(5)27(32)28(23)4)22(30(24)13-14-33-25)20-8-6-7-17(3)15-20/h6-12,15-16,25H,13-14H2,1-5H3/t25-/m1/s1

InChI Key

PZCMZXNKJQFRRK-RUZDIDTESA-N

MDL Number (MFCD)

MFCD27581729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.850

Distribution Coefficient, logD

5.850

Water Solubility, LogSw

-5.49

Polar Surface Area

40.380

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D359-0733 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D359-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0733?
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What is the minimum amount of D359-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0733
  • 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 D359-0733 available by request