C382-0222 Screening compound: ethyl 4-[4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

C382-0222 Screening compound: ethyl 4-[4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate
C382-0222 Screening compound: ethyl 4-[4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C382-0222
ethyl 4-[4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzoyl]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

C382-0222

Molecular Formula

C22H27N3O5S (C22 H27 N3 O5 S)

Compound Name

ethyl 4-[4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

n/a

SMILES

CCOC(N(CC1)CCN1C(c1ccc(CNS(c2ccc(C)cc2)(=O)=O)cc1)=O)=O

InChI

InChI=1S/C22H27N3O5S/c1-3-30-22(27)25-14-12-24(13-15-25)21(26)19-8-6-18(7-9-19)16-23-31(28,29)20-10-4-17(2)5-11-20/h4-11,23H,3,12-16H2,1-2H3

InChI Key

JJAQXWFXURRJFN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-3.21

Polar Surface Area

81.425

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C382-0222 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C382-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C382-0222?
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What is the minimum amount of C382-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C382-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C382-0222
  • 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 C382-0222 available by request