D470-1702 Screening compound: (3S,4R)-3-{[2-(4-methoxyphenoxy)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1702 Screening compound: (3S,4R)-3-{[2-(4-methoxyphenoxy)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1702 Screening compound: (3S,4R)-3-{[2-(4-methoxyphenoxy)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1702
(3S,4R)-3-{[2-(4-methoxyphenoxy)ethyl]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

D470-1702

Molecular Formula

C17H21NO6S3 (C17 H21 NO6 S3)

Compound Name

(3S,4R)-3-{[2-(4-methoxyphenoxy)ethyl]amino}-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

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

SMILES

COc(cc1)ccc1OCCN[C@@H](CS(C1)(=O)=O)[C@H]1S(c1cccs1)(=O)=O

InChI

InChI=1S/C17H21NO6S3/c1-23-13-4-6-14(7-5-13)24-9-8-18-15-11-26(19,20)12-16(15)27(21,22)17-3-2-10-25-17/h2-7,10,15-16,18H,8-9,11-12H2,1H3/t15-,16-/m1/s1

InChI Key

ZNRVHPLJNZSEDS-HZPDHXFCSA-N

MDL Number (MFCD)

MFCD10089003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.55

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

0.994

Distribution Coefficient, logD

0.994

Water Solubility, LogSw

-2.00

Polar Surface Area

85.670

Acid Dissociation Constant (pKa)

19.03

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

D470-1702 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D470-1702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1702?
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What is the minimum amount of D470-1702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1702
  • 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 D470-1702 available by request