SD15-0469 Screening compound: (5aS,9aS)-8-[(4-fluorophenyl)sulfonyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione

SD15-0469 Screening compound: (5aS,9aS)-8-[(4-fluorophenyl)sulfonyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
SD15-0469 Screening compound: (5aS,9aS)-8-[(4-fluorophenyl)sulfonyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SD15-0469
(5aS,9aS)-8-[(4-fluorophenyl)sulfonyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione

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

SD15-0469

Molecular Formula

C16H20FN3O4S (C16 H20 FN3 O4 S)

Compound Name

(5aS,9aS)-8-[(4-fluorophenyl)sulfonyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione

IUPAC name

(5aS9aS)-8-(4-fluorobenzenesulfonyl)-14-dimethyl-decahydro-1H-pyrido[34-e][14]diazepine-25-dione

SMILES

CN(CC(N(C)[C@@H](C1)[C@H]2CCN1S(c(cc1)ccc1F)(=O)=O)=O)C2=O

InChI

InChI=1S/C16H20FN3O4S/c1-18-10-15(21)19(2)14-9-20(8-7-13(14)16(18)22)25(23,24)12-5-3-11(17)4-6-12/h3-6,13-14H,7-10H2,1-2H3/t13-,14-/m0/s1

InChI Key

JWVOIVFEYSGOLG-KBPBESRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.001

Distribution Coefficient, logD

-0.001

Water Solubility, LogSw

-2.48

Polar Surface Area

64.331

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SD15-0469 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD15-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD15-0469?
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What is the minimum amount of SD15-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD15-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD15-0469
  • 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 SD15-0469 available by request