4299-0377 Screening compound: 2-{2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid

4299-0377 Screening compound: 2-{2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
4299-0377 Screening compound: 2-{2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-0377
2-{2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid

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

4299-0377

Molecular Formula

C15H13BrN2O6 (C15 H13 BrN2 O6)

Compound Name

2-{2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid

IUPAC name

2-{2-bromo-4-[(13-dimethyl-246-trioxo-13-diazinan-5-ylidene)methyl]phenoxy}acetic acid

SMILES

CN(C(C(C(N1C)=O)=Cc(cc2)cc(Br)c2OCC(O)=O)=O)C1=O

InChI

InChI=1S/C15H13BrN2O6/c1-17-13(21)9(14(22)18(2)15(17)23)5-8-3-4-11(10(16)6-8)24-7-12(19)20/h3-6H,7H2,1-2H3,(H,19,20)

InChI Key

FZTJTACKUKWIHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.18

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.533

Distribution Coefficient, logD

-2.704

Water Solubility, LogSw

-1.78

Polar Surface Area

81.095

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4299-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-0377?
Check Price and Availability of 4299-0377, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4299-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-0377
  • 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 4299-0377 available by request