D477-0893 Screening compound: 6,11-bis(2-fluorophenyl)-2,3,7,9-tetramethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D477-0893 Screening compound: 6,11-bis(2-fluorophenyl)-2,3,7,9-tetramethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D477-0893 Screening compound: 6,11-bis(2-fluorophenyl)-2,3,7,9-tetramethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D477-0893
6,11-bis(2-fluorophenyl)-2,3,7,9-tetramethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,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

D477-0893

Molecular Formula

C29H24F2N4O2 (C29 H24 F2 N4 O2)

Compound Name

6,11-bis(2-fluorophenyl)-2,3,7,9-tetramethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

IUPAC name

917-bis(2-fluorophenyl)-451214-tetramethyl-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaene-1315-dione

SMILES

Cc(c(C)c1)cc(NC(c2c3N(C)C(N4C)=O)c(cccc5)c5F)c1-n2c(-c(cccc1)c1F)c3C4=O

InChI

InChI=1S/C29H24F2N4O2/c1-15-13-21-22(14-16(15)2)35-25(18-10-6-8-12-20(18)31)23-26(33(3)29(37)34(4)28(23)36)27(35)24(32-21)17-9-5-7-11-19(17)30/h5-14,24,32H,1-4H3/t24-/m0/s1

InChI Key

DJPXORMGNQOHCF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14831403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.195

Distribution Coefficient, logD

6.195

Water Solubility, LogSw

-5.61

Polar Surface Area

44.028

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

D477-0893 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D477-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D477-0893?
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What is the minimum amount of D477-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D477-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D477-0893
  • 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 D477-0893 available by request