D470-2047 Screening compound: (3S,4R)-3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-2047 Screening compound: (3S,4R)-3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-2047 Screening compound: (3S,4R)-3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2047
(3S,4R)-3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-[(4-methoxyphenyl)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

D470-2047

Molecular Formula

C18H25NO7S2 (C18 H25 NO7 S2)

Compound Name

(3S,4R)-3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3S4R)-3-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-4-(4-methoxybenzenesulfonyl)-1lambda6-thiolane-11-dione

SMILES

COc(cc1)ccc1S([C@@H](CS(C1)(=O)=O)[C@H]1N(CC1)CCC11OCCO1)(=O)=O

InChI

InChI=1S/C18H25NO7S2/c1-24-14-2-4-15(5-3-14)28(22,23)17-13-27(20,21)12-16(17)19-8-6-18(7-9-19)25-10-11-26-18/h2-5,16-17H,6-13H2,1H3/t16-,17-/m1/s1

InChI Key

XLDPBLCZZOVMIR-IAGOWNOFSA-N

MDL Number (MFCD)

MFCD10089137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.355

Distribution Coefficient, logD

0.355

Water Solubility, LogSw

-2.15

Polar Surface Area

82.908

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

D470-2047 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D470-2047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2047?
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What is the minimum amount of D470-2047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2047
  • 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 D470-2047 available by request