D470-2222 Screening compound: (3R,4S)-3-[(4-chlorophenyl)sulfonyl]-4-[(3,4-dimethoxyphenethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-2222 Screening compound: (3R,4S)-3-[(4-chlorophenyl)sulfonyl]-4-[(3,4-dimethoxyphenethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-2222 Screening compound: (3R,4S)-3-[(4-chlorophenyl)sulfonyl]-4-[(3,4-dimethoxyphenethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2222
(3R,4S)-3-[(4-chlorophenyl)sulfonyl]-4-[(3,4-dimethoxyphenethyl)amino]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

D470-2222

Molecular Formula

C20H24ClNO6S2 (C20 H24 ClNO6 S2)

Compound Name

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

IUPAC name

(3R4S)-3-(4-chlorobenzenesulfonyl)-4-{[2-(34-dimethoxyphenyl)ethyl]amino}-1lambda6-thiolane-11-dione

SMILES

COc(ccc(CCN[C@@H](CS(C1)(=O)=O)[C@H]1S(c(cc1)ccc1Cl)(=O)=O)c1)c1OC

InChI

InChI=1S/C20H24ClNO6S2/c1-27-18-8-3-14(11-19(18)28-2)9-10-22-17-12-29(23,24)13-20(17)30(25,26)16-6-4-15(21)5-7-16/h3-8,11,17,20,22H,9-10,12-13H2,1-2H3/t17-,20-/m0/s1

InChI Key

YIWABJPGIPXWKQ-PXNSSMCTSA-N

MDL Number (MFCD)

MFCD10043048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474

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

1.218

Distribution Coefficient, logD

1.218

Water Solubility, LogSw

-2.57

Polar Surface Area

84.951

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with D470-2222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2222?
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What is the minimum amount of D470-2222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2222
  • 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 D470-2222 available by request