D470-1667 Screening compound: (3S,4R)-3-{methyl[2-(4-pyridyl)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1667 Screening compound: (3S,4R)-3-{methyl[2-(4-pyridyl)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1667 Screening compound: (3S,4R)-3-{methyl[2-(4-pyridyl)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1667
(3S,4R)-3-{methyl[2-(4-pyridyl)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-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

D470-1667

Molecular Formula

C16H20N2O4S3 (C16 H20 N2 O4 S3)

Compound Name

(3S,4R)-3-{methyl[2-(4-pyridyl)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3S4R)-3-{methyl[2-(pyridin-4-yl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda6-thiolane-11-dione

SMILES

CN(CCc1ccncc1)[C@@H](CS(C1)(=O)=O)[C@H]1S(c1cccs1)(=O)=O

InChI

InChI=1S/C16H20N2O4S3/c1-18(9-6-13-4-7-17-8-5-13)14-11-24(19,20)12-15(14)25(21,22)16-3-2-10-23-16/h2-5,7-8,10,14-15H,6,9,11-12H2,1H3/t14-,15-/m1/s1

InChI Key

FFRRSAWBWXCXQE-HUUCEWRRSA-N

MDL Number (MFCD)

MFCD10088985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.006

Distribution Coefficient, logD

-0.011

Water Solubility, LogSw

-1.59

Polar Surface Area

70.854

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.80

D470-1667 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D470-1667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1667?
Check Price and Availability of D470-1667, 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 D470-1667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1667
  • 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 D470-1667 available by request