D470-1807 Screening compound: (3S,4R)-3-(butylamino)-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1807 Screening compound: (3S,4R)-3-(butylamino)-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1807 Screening compound: (3S,4R)-3-(butylamino)-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1807
(3S,4R)-3-(butylamino)-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

D470-1807

Molecular Formula

C15H23NO4S2 (C15 H23 NO4 S2)

Compound Name

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

IUPAC name

(3S4R)-3-(butylamino)-4-(4-methylbenzenesulfonyl)-1lambda6-thiolane-11-dione

SMILES

CCCCN[C@@H](CS(C1)(=O)=O)[C@H]1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C15H23NO4S2/c1-3-4-9-16-14-10-21(17,18)11-15(14)22(19,20)13-7-5-12(2)6-8-13/h5-8,14-16H,3-4,9-11H2,1-2H3/t14-,15-/m1/s1

InChI Key

ZPBJGRZMYSGQIY-HUUCEWRRSA-N

MDL Number (MFCD)

MFCD10042972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.48

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

1.457

Distribution Coefficient, logD

1.456

Water Solubility, LogSw

-2.26

Polar Surface Area

69.961

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

D470-1807 in Drug Discovery

Included in Screening Libraries

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

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 D470-1807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1807?
Check Price and Availability of D470-1807, 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 D470-1807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1807
  • 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 D470-1807 available by request