D470-1747 Screening compound: (3R,4S)-3-(phenylsulfonyl)-4-[(2-pyridylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1747 Screening compound: (3R,4S)-3-(phenylsulfonyl)-4-[(2-pyridylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1747 Screening compound: (3R,4S)-3-(phenylsulfonyl)-4-[(2-pyridylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1747
(3R,4S)-3-(phenylsulfonyl)-4-[(2-pyridylmethyl)amino]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

D470-1747

Molecular Formula

C16H18N2O4S2 (C16 H18 N2 O4 S2)

Compound Name

(3R,4S)-3-(phenylsulfonyl)-4-[(2-pyridylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3R4S)-3-(benzenesulfonyl)-4-{[(pyridin-2-yl)methyl]amino}-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1NCc1ncccc1)(c1ccccc1)=O

InChI

InChI=1S/C16H18N2O4S2/c19-23(20)11-15(18-10-13-6-4-5-9-17-13)16(12-23)24(21,22)14-7-2-1-3-8-14/h1-9,15-16,18H,10-12H2/t15-,16-/m1/s1

InChI Key

HIRATQJKXCOXGZ-HZPDHXFCSA-N

MDL Number (MFCD)

MFCD10042940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.129

Distribution Coefficient, logD

-0.140

Water Solubility, LogSw

-2.06

Polar Surface Area

79.392

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.30

D470-1747 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D470-1747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1747?
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What is the minimum amount of D470-1747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1747
  • 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 D470-1747 available by request