D477-0013 Screening compound: 6-(3-chlorophenyl)-7,9-dimethyl-11-(2-methylphenyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione

D477-0013 Screening compound: 6-(3-chlorophenyl)-7,9-dimethyl-11-(2-methylphenyl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione
D477-0013 Screening compound: 6-(3-chlorophenyl)-7,9-dimethyl-11-(2-methylphenyl)-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 D477-0013
6-(3-chlorophenyl)-7,9-dimethyl-11-(2-methylphenyl)-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

D477-0013

Molecular Formula

C28H22ClN3O3 (C28 H22 ClN3 O3)

Compound Name

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

IUPAC name

9-(3-chlorophenyl)-1214-dimethyl-17-(2-methylphenyl)-8-oxa-11214-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaene-1315-dione

SMILES

Cc(cccc1)c1-c(n(c1c2N(C)C(N3C)=O)-c(cccc4)c4OC1c1cccc(Cl)c1)c2C3=O

InChI

InChI=1S/C28H22ClN3O3/c1-16-9-4-5-12-19(16)23-22-24(30(2)28(34)31(3)27(22)33)25-26(17-10-8-11-18(29)15-17)35-21-14-7-6-13-20(21)32(23)25/h4-15,26H,1-3H3/t26-/m1/s1

InChI Key

UDXHVGZKHURFHA-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14831278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.95

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

6.280

Distribution Coefficient, logD

6.280

Water Solubility, LogSw

-6.12

Polar Surface Area

39.563

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

-4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D477-0013 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 D477-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D477-0013?
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What is the minimum amount of D477-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D477-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D477-0013
  • 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 D477-0013 available by request