D470-2300 Screening compound: (3R,4S)-3-[(4-ethoxyphenyl)sulfonyl]-4-[(4-fluorophenethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-2300 Screening compound: (3R,4S)-3-[(4-ethoxyphenyl)sulfonyl]-4-[(4-fluorophenethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-2300 Screening compound: (3R,4S)-3-[(4-ethoxyphenyl)sulfonyl]-4-[(4-fluorophenethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2300
(3R,4S)-3-[(4-ethoxyphenyl)sulfonyl]-4-[(4-fluorophenethyl)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

D470-2300

Molecular Formula

C20H24FNO5S2 (C20 H24 FNO5 S2)

Compound Name

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

IUPAC name

(3R4S)-3-(4-ethoxybenzenesulfonyl)-4-{[2-(4-fluorophenyl)ethyl]amino}-1lambda6-thiolane-11-dione

SMILES

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

InChI

InChI=1S/C20H24FNO5S2/c1-2-27-17-7-9-18(10-8-17)29(25,26)20-14-28(23,24)13-19(20)22-12-11-15-3-5-16(21)6-4-15/h3-10,19-20,22H,2,11-14H2,1H3/t19-,20-/m1/s1

InChI Key

VKRSCAGZJHSNGS-WOJBJXKFSA-N

MDL Number (MFCD)

MFCD10089240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

1.505

Water Solubility, LogSw

-2.29

Polar Surface Area

76.814

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

D470-2300 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 D470-2300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2300?
Check Price and Availability of D470-2300, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D470-2300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2300
  • 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 D470-2300 available by request