D470-1659 Screening compound: (3S,4R)-3-{[2-(2-thienyl)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1659 Screening compound: (3S,4R)-3-{[2-(2-thienyl)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1659 Screening compound: (3S,4R)-3-{[2-(2-thienyl)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1659
(3S,4R)-3-{[2-(2-thienyl)ethyl]amino}-4-(2-thienylsulfonyl)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

D470-1659

Molecular Formula

C14H17NO4S4 (C14 H17 NO4 S4)

Compound Name

(3S,4R)-3-{[2-(2-thienyl)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3S4R)-3-{[2-(thiophen-2-yl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1NCCc1cccs1)(c1cccs1)=O

InChI

InChI=1S/C14H17NO4S4/c16-22(17)9-12(15-6-5-11-3-1-7-20-11)13(10-22)23(18,19)14-4-2-8-21-14/h1-4,7-8,12-13,15H,5-6,9-10H2/t12-,13-/m1/s1

InChI Key

JXZVWZGQQAXSMN-CHWSQXEVSA-N

MDL Number (MFCD)

MFCD10088977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.56

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

0.736

Distribution Coefficient, logD

0.736

Water Solubility, LogSw

-1.90

Polar Surface Area

71.727

Acid Dissociation Constant (pKa)

19.03

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

D470-1659 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 D470-1659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1659?
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What is the minimum amount of D470-1659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1659
  • 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 D470-1659 available by request