D470-2232 Screening compound: ethyl 4-{(3S,4R)-4-[(4-chlorophenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}tetrahydro-1(2H)-pyrazinecarboxylate

D470-2232 Screening compound: ethyl 4-{(3S,4R)-4-[(4-chlorophenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}tetrahydro-1(2H)-pyrazinecarboxylate
D470-2232 Screening compound: ethyl 4-{(3S,4R)-4-[(4-chlorophenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2232
ethyl 4-{(3S,4R)-4-[(4-chlorophenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}tetrahydro-1(2H)-pyrazinecarboxylate

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

D470-2232

Molecular Formula

C17H23ClN2O6S2 (C17 H23 ClN2 O6 S2)

Compound Name

ethyl 4-{(3S,4R)-4-[(4-chlorophenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[(3S4R)-4-(4-chlorobenzenesulfonyl)-11-dioxo-1lambda6-thiolan-3-yl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1[C@@H](CS(C1)(=O)=O)[C@H]1S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C17H23ClN2O6S2/c1-2-26-17(21)20-9-7-19(8-10-20)15-11-27(22,23)12-16(15)28(24,25)14-5-3-13(18)4-6-14/h3-6,15-16H,2,7-12H2,1H3/t15-,16-/m0/s1

InChI Key

SICQDMIBIIXSGD-HOTGVXAUSA-N

MDL Number (MFCD)

MFCD12922117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.96

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.212

Distribution Coefficient, logD

1.212

Water Solubility, LogSw

-2.68

Polar Surface Area

83.707

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

References: we are preparing a list of scientific research reports with D470-2232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2232?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2232
  • 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 D470-2232 available by request