4905-1301 Screening compound: 1,4-bis[2-methoxy-4-methyl-5-(propan-2-yl)benzenesulfonyl]-1,4-diazepane

4905-1301 Screening compound: 1,4-bis[2-methoxy-4-methyl-5-(propan-2-yl)benzenesulfonyl]-1,4-diazepane
4905-1301 Screening compound: 1,4-bis[2-methoxy-4-methyl-5-(propan-2-yl)benzenesulfonyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 4905-1301
1,4-bis[2-methoxy-4-methyl-5-(propan-2-yl)benzenesulfonyl]-1,4-diazepane

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

4905-1301

Molecular Formula

C27H40N2O6S2 (C27 H40 N2 O6 S2)

Compound Name

1,4-bis[2-methoxy-4-methyl-5-(propan-2-yl)benzenesulfonyl]-1,4-diazepane

IUPAC name

14-bis[2-methoxy-4-methyl-5-(propan-2-yl)benzenesulfonyl]-14-diazepane

SMILES

CC(C)c(c(C)c1)cc(S(N(CCC2)CCN2S(c(cc(C(C)C)c(C)c2)c2OC)(=O)=O)(=O)=O)c1OC

InChI

InChI=1S/C27H40N2O6S2/c1-18(2)22-16-26(24(34-7)14-20(22)5)36(30,31)28-10-9-11-29(13-12-28)37(32,33)27-17-23(19(3)4)21(6)15-25(27)35-8/h14-19H,9-13H2,1-8H3

InChI Key

QVDKLHJDXHEJLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03039359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.76

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.150

Distribution Coefficient, logD

5.150

Water Solubility, LogSw

-4.99

Polar Surface Area

79.060

Acid Dissociation Constant (pKa)

23.71

Base Dissociation Constant (pKb)

-4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

4905-1301 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 4905-1301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4905-1301?
Check Price and Availability of 4905-1301, 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 4905-1301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4905-1301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4905-1301
  • 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 4905-1301 available by request