D477-0397 Screening compound: 2,7,9-trimethyl-11-(4-methylphenyl)-6-(2-thienyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione

D477-0397 Screening compound: 2,7,9-trimethyl-11-(4-methylphenyl)-6-(2-thienyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione
D477-0397 Screening compound: 2,7,9-trimethyl-11-(4-methylphenyl)-6-(2-thienyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D477-0397
2,7,9-trimethyl-11-(4-methylphenyl)-6-(2-thienyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-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

D477-0397

Molecular Formula

C27H23N3O3S (C27 H23 N3 O3 S)

Compound Name

2,7,9-trimethyl-11-(4-methylphenyl)-6-(2-thienyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione

IUPAC name

41214-trimethyl-17-(4-methylphenyl)-9-(thiophen-2-yl)-8-oxa-11214-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaene-1315-dione

SMILES

Cc(cc1)ccc1-c(n1-c(cc(C)cc2)c2OC(c2cccs2)c1c1N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C27H23N3O3S/c1-15-7-10-17(11-8-15)22-21-23(28(3)27(32)29(4)26(21)31)24-25(20-6-5-13-34-20)33-19-12-9-16(2)14-18(19)30(22)24/h5-14,25H,1-4H3/t25-/m0/s1

InChI Key

ZGNQBEVQZHWCIA-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14831368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.826

Distribution Coefficient, logD

5.826

Water Solubility, LogSw

-5.53

Polar Surface Area

40.581

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

D477-0397 in Drug Discovery

Included in Screening Libraries

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 D477-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D477-0397?
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What is the minimum amount of D477-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D477-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D477-0397
  • 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 D477-0397 available by request