8018-2472 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-thienyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione

8018-2472 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-thienyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
8018-2472 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-thienyl)-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 8018-2472
5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-thienyl)-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

8018-2472

Molecular Formula

C22H21N3O4S (C22 H21 N3 O4 S)

Compound Name

5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-thienyl)-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-(thiophen-2-yl)-12-oxa-359-triazatricyclo[7.4.0.0^{27}]trideca-17-diene-46-dione

SMILES

CN(c1c(C(c2cccs2)OCC2)n2c(-c(cc2)ccc2OC)c1C(N1C)=O)C1=O

InChI

InChI=1S/C22H21N3O4S/c1-23-18-16(21(26)24(2)22(23)27)17(13-6-8-14(28-3)9-7-13)25-10-11-29-20(19(18)25)15-5-4-12-30-15/h4-9,12,20H,10-11H2,1-3H3/t20-/m0/s1

InChI Key

SLYGIMVQTKZTAD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06788496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.88

Polar Surface Area

48.942

Acid Dissociation Constant (pKa)

25.28

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8018-2472 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-2472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2472?
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What is the minimum amount of 8018-2472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2472
  • 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 8018-2472 available by request