F667-0262 Screening compound: 1,3,6-trimethyl-5-{4-[2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]piperazino}-2,4(1H,3H)-pyrimidinedione

F667-0262 Screening compound: 1,3,6-trimethyl-5-{4-[2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]piperazino}-2,4(1H,3H)-pyrimidinedione
F667-0262 Screening compound: 1,3,6-trimethyl-5-{4-[2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]piperazino}-2,4(1H,3H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound F667-0262
1,3,6-trimethyl-5-{4-[2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]piperazino}-2,4(1H,3H)-pyrimidinedione

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

F667-0262

Molecular Formula

C22H27N5O5 (C22 H27 N5 O5)

Compound Name

1,3,6-trimethyl-5-{4-[2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]piperazino}-2,4(1H,3H)-pyrimidinedione

IUPAC name

n/a

SMILES

CC1Oc(cccc2)c2N(CC(N(CC2)CCN2C(C(N2C)=O)=C(C)N(C)C2=O)=O)C1=O

InChI

InChI=1S/C22H27N5O5/c1-14-19(21(30)24(4)22(31)23(14)3)26-11-9-25(10-12-26)18(28)13-27-16-7-5-6-8-17(16)32-15(2)20(27)29/h5-8,15H,9-13H2,1-4H3/t15-/m1/s1

InChI Key

HURQLABZNNLZIU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14961706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.792

Distribution Coefficient, logD

0.789

Water Solubility, LogSw

-1.47

Polar Surface Area

74.247

Acid Dissociation Constant (pKa)

18.14

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

F667-0262 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F667-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F667-0262?
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What is the minimum amount of F667-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F667-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F667-0262
  • 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 F667-0262 available by request