D470-1704 Screening compound: (3S,4R)-3-[(2,5-dimethoxyphenethyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1704 Screening compound: (3S,4R)-3-[(2,5-dimethoxyphenethyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1704 Screening compound: (3S,4R)-3-[(2,5-dimethoxyphenethyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1704
(3S,4R)-3-[(2,5-dimethoxyphenethyl)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

D470-1704

Molecular Formula

C18H23NO6S3 (C18 H23 NO6 S3)

Compound Name

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

IUPAC name

(3S4R)-3-{[2-(25-dimethoxyphenyl)ethyl]amino}-4-(thiophene-2-sulfonyl)-1lambda6-thiolane-11-dione

SMILES

COc(cc1)cc(CCN[C@@H](CS(C2)(=O)=O)[C@H]2S(c2cccs2)(=O)=O)c1OC

InChI

InChI=1S/C18H23NO6S3/c1-24-14-5-6-16(25-2)13(10-14)7-8-19-15-11-27(20,21)12-17(15)28(22,23)18-4-3-9-26-18/h3-6,9-10,15,17,19H,7-8,11-12H2,1-2H3/t15-,17-/m1/s1

InChI Key

ADDXRYAUSCBADC-NVXWUHKLSA-N

MDL Number (MFCD)

MFCD10089004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.126

Distribution Coefficient, logD

1.126

Water Solubility, LogSw

-2.16

Polar Surface Area

85.882

Acid Dissociation Constant (pKa)

19.03

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

D470-1704 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 D470-1704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1704?
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What is the minimum amount of D470-1704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1704
  • 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 D470-1704 available by request