D470-1654 Screening compound: (3S,4R)-3-[(1,3-benzodioxol-5-ylmethyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1654 Screening compound: (3S,4R)-3-[(1,3-benzodioxol-5-ylmethyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1654 Screening compound: (3S,4R)-3-[(1,3-benzodioxol-5-ylmethyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1654
(3S,4R)-3-[(1,3-benzodioxol-5-ylmethyl)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

D470-1654

Molecular Formula

C16H17NO6S3 (C16 H17 NO6 S3)

Compound Name

(3S,4R)-3-[(1,3-benzodioxol-5-ylmethyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3S4R)-3-{[(2H-13-benzodioxol-5-yl)methyl]amino}-4-(thiophene-2-sulfonyl)-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1NCc(cc1)cc2c1OCO2)(c1cccs1)=O

InChI

InChI=1S/C16H17NO6S3/c18-25(19)8-12(15(9-25)26(20,21)16-2-1-5-24-16)17-7-11-3-4-13-14(6-11)23-10-22-13/h1-6,12,15,17H,7-10H2/t12-,15-/m1/s1

InChI Key

AAJAXERXKYWNOC-IUODEOHRSA-N

MDL Number (MFCD)

MFCD10088976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.525

Distribution Coefficient, logD

0.524

Water Solubility, LogSw

-2.13

Polar Surface Area

87.982

Acid Dissociation Constant (pKa)

18.72

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

D470-1654 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D470-1654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1654?
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What is the minimum amount of D470-1654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1654
  • 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 D470-1654 available by request