6807-1090 Screening compound: phenyl N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}-N-(2,4,5-trimethylbenzenesulfonyl)carbamate

6807-1090 Screening compound: phenyl N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}-N-(2,4,5-trimethylbenzenesulfonyl)carbamate
6807-1090 Screening compound: phenyl N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}-N-(2,4,5-trimethylbenzenesulfonyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-1090
phenyl N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}-N-(2,4,5-trimethylbenzenesulfonyl)carbamate

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

6807-1090

Molecular Formula

C27H21NO6S2 (C27 H21 NO6 S2)

Compound Name

phenyl N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}-N-(2,4,5-trimethylbenzenesulfonyl)carbamate

IUPAC name

phenyl N-{2-oxo-2H-naphtho[21-d][13]oxathiol-5-yl}-N-(245-trimethylbenzenesulfonyl)carbamate

SMILES

Cc(c(C)c1)cc(C)c1S(N(C(Oc1ccccc1)=O)c(c1ccccc11)cc(S2)c1OC2=O)(=O)=O

InChI

InChI=1S/C27H21NO6S2/c1-16-13-18(3)24(14-17(16)2)36(31,32)28(26(29)33-19-9-5-4-6-10-19)22-15-23-25(34-27(30)35-23)21-12-8-7-11-20(21)22/h4-15H,1-3H3

InChI Key

PVLCATGKMHQADG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05804950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.940

Distribution Coefficient, logD

6.940

Water Solubility, LogSw

-5.92

Polar Surface Area

72.678

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-14.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6807-1090 in Drug Discovery

Included in Screening Libraries

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 6807-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-1090?
Check Price and Availability of 6807-1090, 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 6807-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-1090
  • 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 6807-1090 available by request