6259-6305 Screening compound: 1-(2-fluorophenyl)-7-(furan-2-yl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione

6259-6305 Screening compound: 1-(2-fluorophenyl)-7-(furan-2-yl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione
6259-6305 Screening compound: 1-(2-fluorophenyl)-7-(furan-2-yl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6259-6305
1-(2-fluorophenyl)-7-(furan-2-yl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-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

6259-6305

Molecular Formula

C18H9F7N4O3 (C18 H9 F7 N4 O3)

Compound Name

1-(2-fluorophenyl)-7-(furan-2-yl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione

IUPAC name

1-(2-fluorophenyl)-7-(furan-2-yl)-55-bis(trifluoromethyl)-1H2H3H4H5H8H-pyrimido[45-d][13]diazine-24-dione

SMILES

O=C(C(C(C(F)(F)F)(C(F)(F)F)N=C(c1ccco1)N1)=C1N1c(cccc2)c2F)NC1=O

InChI

InChI=1S/C18H9F7N4O3/c19-8-4-1-2-5-9(8)29-13-11(14(30)27-15(29)31)16(17(20,21)22,18(23,24)25)28-12(26-13)10-6-3-7-32-10/h1-7H,(H,26,28)(H,27,30,31)

InChI Key

QWORYGHUGWRASO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.155

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.46

Polar Surface Area

70.005

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6259-6305 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6259-6305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6259-6305?
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What is the minimum amount of 6259-6305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6259-6305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6259-6305
  • 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 6259-6305 available by request