D470-1838 Screening compound: (3R,4S)-3-[(4-methylphenyl)sulfonyl]-4-[(2-pyridylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1838 Screening compound: (3R,4S)-3-[(4-methylphenyl)sulfonyl]-4-[(2-pyridylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1838 Screening compound: (3R,4S)-3-[(4-methylphenyl)sulfonyl]-4-[(2-pyridylmethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1838
(3R,4S)-3-[(4-methylphenyl)sulfonyl]-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

D470-1838

Molecular Formula

C17H20N2O4S2 (C17 H20 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S([C@@H](CS(C1)(=O)=O)[C@H]1NCc1ncccc1)(=O)=O

InChI

InChI=1S/C17H20N2O4S2/c1-13-5-7-15(8-6-13)25(22,23)17-12-24(20,21)11-16(17)19-10-14-4-2-3-9-18-14/h2-9,16-17,19H,10-12H2,1H3/t16-,17-/m1/s1

InChI Key

MXUJNZIUFYHRJY-IAGOWNOFSA-N

MDL Number (MFCD)

MFCD10042990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

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

0.479

Distribution Coefficient, logD

0.468

Water Solubility, LogSw

-2.23

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

35.30

D470-1838 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D470-1838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1838?
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What is the minimum amount of D470-1838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1838
  • 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 D470-1838 available by request