D470-1861 Screening compound: (3S,4R)-3-[(3,4-dimethoxybenzyl)amino]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1861 Screening compound: (3S,4R)-3-[(3,4-dimethoxybenzyl)amino]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1861 Screening compound: (3S,4R)-3-[(3,4-dimethoxybenzyl)amino]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1861
(3S,4R)-3-[(3,4-dimethoxybenzyl)amino]-4-[(4-methylphenyl)sulfonyl]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

D470-1861

Molecular Formula

C20H25NO6S2 (C20 H25 NO6 S2)

Compound Name

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

IUPAC name

(3S4R)-3-{[(34-dimethoxyphenyl)methyl]amino}-4-(4-methylbenzenesulfonyl)-1lambda6-thiolane-11-dione

SMILES

Cc(cc1)ccc1S([C@@H](CS(C1)(=O)=O)[C@H]1NCc(cc1)cc(OC)c1OC)(=O)=O

InChI

InChI=1S/C20H25NO6S2/c1-14-4-7-16(8-5-14)29(24,25)20-13-28(22,23)12-17(20)21-11-15-6-9-18(26-2)19(10-15)27-3/h4-10,17,20-21H,11-13H2,1-3H3/t17-,20-/m1/s1

InChI Key

MRQOCDSEPNTSLD-YLJYHZDGSA-N

MDL Number (MFCD)

MFCD10089034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.980

Distribution Coefficient, logD

0.979

Water Solubility, LogSw

-2.18

Polar Surface Area

85.109

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

D470-1861 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 D470-1861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1861?
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What is the minimum amount of D470-1861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1861
  • 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 D470-1861 available by request