D470-1698 Screening compound: (3S,4R)-3-[(3-phenylpropyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1698 Screening compound: (3S,4R)-3-[(3-phenylpropyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1698 Screening compound: (3S,4R)-3-[(3-phenylpropyl)amino]-4-(2-thienylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1698
(3S,4R)-3-[(3-phenylpropyl)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

D470-1698

Molecular Formula

C17H21NO4S3 (C17 H21 NO4 S3)

Compound Name

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

IUPAC name

(3S4R)-3-[(3-phenylpropyl)amino]-4-(thiophene-2-sulfonyl)-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1NCCCc1ccccc1)(c1cccs1)=O

InChI

InChI=1S/C17H21NO4S3/c19-24(20)12-15(18-10-4-8-14-6-2-1-3-7-14)16(13-24)25(21,22)17-9-5-11-23-17/h1-3,5-7,9,11,15-16,18H,4,8,10,12-13H2/t15-,16-/m1/s1

InChI Key

VIINBCNGGXYTHJ-HZPDHXFCSA-N

MDL Number (MFCD)

MFCD10089002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.801

Distribution Coefficient, logD

1.801

Water Solubility, LogSw

-2.19

Polar Surface Area

70.708

Acid Dissociation Constant (pKa)

19.03

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with D470-1698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1698?
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What is the minimum amount of D470-1698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1698
  • 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 D470-1698 available by request