SA53-0269 Screening compound: 1-benzyl-4-methanesulfonyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane

SA53-0269 Screening compound: 1-benzyl-4-methanesulfonyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane
SA53-0269 Screening compound: 1-benzyl-4-methanesulfonyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA53-0269
1-benzyl-4-methanesulfonyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-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

SA53-0269

Molecular Formula

C16H23N5O2S (C16 H23 N5 O2 S)

Compound Name

1-benzyl-4-methanesulfonyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane

IUPAC name

1-benzyl-4-methanesulfonyl-2-(3-methyl-1H-124-triazol-5-yl)-14-diazepane

SMILES

Cc1n[nH]c(C(C2)N(Cc3ccccc3)CCCN2S(C)(=O)=O)n1

InChI

InChI=1S/C16H23N5O2S/c1-13-17-16(19-18-13)15-12-21(24(2,22)23)10-6-9-20(15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3,(H,17,18,19)/t15-/m0/s1

InChI Key

UOKPLPYOPDQRPN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32001332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.982

Distribution Coefficient, logD

0.981

Water Solubility, LogSw

-2.17

Polar Surface Area

68.776

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA53-0269 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with SA53-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA53-0269?
Check Price and Availability of SA53-0269, 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 SA53-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA53-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA53-0269
  • 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 SA53-0269 available by request