D470-1845 Screening compound: (3S,4R)-3-[(4-fluorophenethyl)amino]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1845 Screening compound: (3S,4R)-3-[(4-fluorophenethyl)amino]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1845 Screening compound: (3S,4R)-3-[(4-fluorophenethyl)amino]-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1845
(3S,4R)-3-[(4-fluorophenethyl)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

D470-1845

Molecular Formula

C19H22FNO4S2 (C19 H22 FNO4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S([C@@H](CS(C1)(=O)=O)[C@H]1NCCc(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C19H22FNO4S2/c1-14-2-8-17(9-3-14)27(24,25)19-13-26(22,23)12-18(19)21-11-10-15-4-6-16(20)7-5-15/h2-9,18-19,21H,10-13H2,1H3/t18-,19-/m1/s1

InChI Key

PWVWSTDMLFFQRQ-RTBURBONSA-N

MDL Number (MFCD)

MFCD10042994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.559

Distribution Coefficient, logD

1.559

Water Solubility, LogSw

-2.30

Polar Surface Area

69.690

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.80

D470-1845 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D470-1845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1845?
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What is the minimum amount of D470-1845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1845
  • 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 D470-1845 available by request