2817-0771 Screening compound: 2-(2,6-dibromo-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid

2817-0771 Screening compound: 2-(2,6-dibromo-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
2817-0771 Screening compound: 2-(2,6-dibromo-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2817-0771
2-(2,6-dibromo-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-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

2817-0771

Molecular Formula

C20H14Br2N2O6S (C20 H14 Br2 N2 O6 S)

Compound Name

2-(2,6-dibromo-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(26-dibromo-4-{[(5E)-1-(4-methoxyphenyl)-46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene]methyl}phenoxy)acetic acid

SMILES

COc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2Br)cc(Br)c2OCC(O)=O)=O)C1=S

InChI

InChI=1S/C20H14Br2N2O6S/c1-29-12-4-2-11(3-5-12)24-19(28)13(18(27)23-20(24)31)6-10-7-14(21)17(15(22)8-10)30-9-16(25)26/h2-8H,9H2,1H3,(H,25,26)(H,23,27,31)

InChI Key

RLBLAWXLBCBBHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.22

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

-0.778

Water Solubility, LogSw

-3.97

Polar Surface Area

83.828

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 2817-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2817-0771?
Check Price and Availability of 2817-0771, 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 2817-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2817-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2817-0771
  • 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 2817-0771 available by request