D470-1830 Screening compound: (3S,4R)-3-[(2-fluorobenzyl)amino]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1830 Screening compound: (3S,4R)-3-[(2-fluorobenzyl)amino]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1830 Screening compound: (3S,4R)-3-[(2-fluorobenzyl)amino]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1830
(3S,4R)-3-[(2-fluorobenzyl)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

D470-1830

Molecular Formula

C18H20FNO4S2 (C18 H20 FNO4 S2)

Compound Name

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

IUPAC name

(3S4R)-3-{[(2-fluorophenyl)methyl]amino}-4-(4-methylbenzenesulfonyl)-1lambda6-thiolane-11-dione

SMILES

Cc(cc1)ccc1S([C@@H](CS(C1)(=O)=O)[C@H]1NCc(cccc1)c1F)(=O)=O

InChI

InChI=1S/C18H20FNO4S2/c1-13-6-8-15(9-7-13)26(23,24)18-12-25(21,22)11-17(18)20-10-14-4-2-3-5-16(14)19/h2-9,17-18,20H,10-12H2,1H3/t17-,18-/m1/s1

InChI Key

HKYDQUUEJWKEFE-QZTJIDSGSA-N

MDL Number (MFCD)

MFCD10042987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.852

Distribution Coefficient, logD

1.852

Water Solubility, LogSw

-2.33

Polar Surface Area

69.848

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D470-1830 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D470-1830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1830?
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What is the minimum amount of D470-1830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1830
  • 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 D470-1830 available by request