SA85-1072 Screening compound: 4-[(3,4-difluorophenyl)sulfonyl]-6-hydroxy-1-isobutyl-1,4-diazepan-2-one

SA85-1072 Screening compound: 4-[(3,4-difluorophenyl)sulfonyl]-6-hydroxy-1-isobutyl-1,4-diazepan-2-one
SA85-1072 Screening compound: 4-[(3,4-difluorophenyl)sulfonyl]-6-hydroxy-1-isobutyl-1,4-diazepan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA85-1072
4-[(3,4-difluorophenyl)sulfonyl]-6-hydroxy-1-isobutyl-1,4-diazepan-2-one

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

SA85-1072

Molecular Formula

C15H20F2N2O4S (C15 H20 F2 N2 O4 S)

Compound Name

4-[(3,4-difluorophenyl)sulfonyl]-6-hydroxy-1-isobutyl-1,4-diazepan-2-one

IUPAC name

4-(34-difluorobenzenesulfonyl)-6-hydroxy-1-(2-methylpropyl)-14-diazepan-2-one

SMILES

CC(C)CN(CC(CN(C1)S(c(cc2)cc(F)c2F)(=O)=O)O)C1=O

InChI

InChI=1S/C15H20F2N2O4S/c1-10(2)6-18-7-11(20)8-19(9-15(18)21)24(22,23)12-3-4-13(16)14(17)5-12/h3-5,10-11,20H,6-9H2,1-2H3/t11-/m0/s1

InChI Key

RYYANUQHCAFUSL-NSHDSACASA-N

MDL Number (MFCD)

MFCD32242391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.590

Distribution Coefficient, logD

1.590

Water Solubility, LogSw

-2.50

Polar Surface Area

64.779

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

SA85-1072 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with SA85-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA85-1072?
Check Price and Availability of SA85-1072, 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 SA85-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA85-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA85-1072
  • 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 SA85-1072 available by request