Y043-2736 Screening compound: 5-[(3S)-1,2-dithiolan-3-yl]-N~1~-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pentanamide

Y043-2736 Screening compound: 5-[(3S)-1,2-dithiolan-3-yl]-N~1~-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pentanamide
Y043-2736 Screening compound: 5-[(3S)-1,2-dithiolan-3-yl]-N~1~-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2736
5-[(3S)-1,2-dithiolan-3-yl]-N~1~-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pentanamide

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

Y043-2736

Molecular Formula

C12H19N3O2S3 (C12 H19 N3 O2 S3)

Compound Name

5-[(3S)-1,2-dithiolan-3-yl]-N~1~-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pentanamide

IUPAC name

5-[(3S)-12-dithiolan-3-yl]-N-[5-(methoxymethyl)-134-thiadiazol-2-yl]pentanamide

SMILES

COCc1nnc(NC(CCCCC2SSCC2)=O)s1

InChI

InChI=1S/C12H19N3O2S3/c1-17-8-11-14-15-12(19-11)13-10(16)5-3-2-4-9-6-7-18-20-9/h9H,2-8H2,1H3,(H,13,15,16)/t9-/m0/s1

InChI Key

PHMOGRSDAJNIGB-VIFPVBQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-2.65

Polar Surface Area

56.138

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

Y043-2736 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-2736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2736?
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What is the minimum amount of Y043-2736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2736
  • 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 Y043-2736 available by request