D470-1660 Screening compound: (3S,4R)-3-(phenethylamino)-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1660 Screening compound: (3S,4R)-3-(phenethylamino)-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1660 Screening compound: (3S,4R)-3-(phenethylamino)-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1660
(3S,4R)-3-(phenethylamino)-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

D470-1660

Molecular Formula

C16H19NO4S3 (C16 H19 NO4 S3)

Compound Name

(3S,4R)-3-(phenethylamino)-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3S4R)-3-[(2-phenylethyl)amino]-4-(thiophene-2-sulfonyl)-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1NCCc1ccccc1)(c1cccs1)=O

InChI

InChI=1S/C16H19NO4S3/c18-23(19)11-14(17-9-8-13-5-2-1-3-6-13)15(12-23)24(20,21)16-7-4-10-22-16/h1-7,10,14-15,17H,8-9,11-12H2/t14-,15-/m1/s1

InChI Key

MWNGDPHVVIZMJJ-HUUCEWRRSA-N

MDL Number (MFCD)

MFCD10088978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.53

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

0.777

Distribution Coefficient, logD

0.777

Water Solubility, LogSw

-1.94

Polar Surface Area

70.708

Acid Dissociation Constant (pKa)

19.03

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

D470-1660 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 D470-1660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1660?
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What is the minimum amount of D470-1660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1660
  • 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 D470-1660 available by request