3594-0612 Screening compound: 4-[N-(phenoxycarbonyl)2,4,6-trimethylbenzenesulfonamido]phenyl phenyl carbonate

3594-0612 Screening compound: 4-[N-(phenoxycarbonyl)2,4,6-trimethylbenzenesulfonamido]phenyl phenyl carbonate
3594-0612 Screening compound: 4-[N-(phenoxycarbonyl)2,4,6-trimethylbenzenesulfonamido]phenyl phenyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3594-0612
4-[N-(phenoxycarbonyl)2,4,6-trimethylbenzenesulfonamido]phenyl phenyl carbonate

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

3594-0612

Molecular Formula

C29H25NO7S (C29 H25 NO7 S)

Compound Name

4-[N-(phenoxycarbonyl)2,4,6-trimethylbenzenesulfonamido]phenyl phenyl carbonate

IUPAC name

4-[N-(phenoxycarbonyl)246-trimethylbenzenesulfonamido]phenyl phenyl carbonate

SMILES

Cc(cc1C)cc(C)c1S(N(C(Oc1ccccc1)=O)c(cc1)ccc1OC(Oc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C29H25NO7S/c1-20-18-21(2)27(22(3)19-20)38(33,34)30(28(31)35-24-10-6-4-7-11-24)23-14-16-26(17-15-23)37-29(32)36-25-12-8-5-9-13-25/h4-19H,1-3H3

InChI Key

FVKIGIYMFXWKDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01165319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.452

Distribution Coefficient, logD

6.452

Water Solubility, LogSw

-5.64

Polar Surface Area

79.884

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-13.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

3594-0612 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3594-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3594-0612?
Check Price and Availability of 3594-0612, 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 3594-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3594-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3594-0612
  • 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 3594-0612 available by request