2704-0015 Screening compound: bis(propan-2-yl) [3,5-dichloro-1-(4-methylbenzenesulfonamido)-4-oxocyclohexa-2,5-dien-1-yl]phosphonate

2704-0015 Screening compound: bis(propan-2-yl) [3,5-dichloro-1-(4-methylbenzenesulfonamido)-4-oxocyclohexa-2,5-dien-1-yl]phosphonate
2704-0015 Screening compound: bis(propan-2-yl) [3,5-dichloro-1-(4-methylbenzenesulfonamido)-4-oxocyclohexa-2,5-dien-1-yl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2704-0015
bis(propan-2-yl) [3,5-dichloro-1-(4-methylbenzenesulfonamido)-4-oxocyclohexa-2,5-dien-1-yl]phosphonate

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

2704-0015

Molecular Formula

C19H24Cl2NO6PS (C19 H24 Cl2 NO6 PS)

Compound Name

bis(propan-2-yl) [3,5-dichloro-1-(4-methylbenzenesulfonamido)-4-oxocyclohexa-2,5-dien-1-yl]phosphonate

IUPAC name

bis(propan-2-yl) [35-dichloro-1-(4-methylbenzenesulfonamido)-4-oxocyclohexa-25-dien-1-yl]phosphonate

SMILES

CC(C)OP(C(C=C(C1=O)Cl)(C=C1Cl)NS(c1ccc(C)cc1)(=O)=O)(OC(C)C)=O

InChI

InChI=1S/C19H24Cl2NO6PS/c1-12(2)27-29(24,28-13(3)4)19(10-16(20)18(23)17(21)11-19)22-30(25,26)15-8-6-14(5)7-9-15/h6-13,22H,1-5H3

InChI Key

QOPXJRMHNVUWPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00193513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.26

Polar Surface Area

85.524

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

-12.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with 2704-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2704-0015?
Check Price and Availability of 2704-0015, 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 2704-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2704-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2704-0015
  • 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 2704-0015 available by request