K653-0583 Screening compound: ethyl 4-{[2-({1-[(4-methoxyphenyl)sulfonyl]-1H-1,3-benzimidazol-2-yl}sulfanyl)acetyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

K653-0583 Screening compound: ethyl 4-{[2-({1-[(4-methoxyphenyl)sulfonyl]-1H-1,3-benzimidazol-2-yl}sulfanyl)acetyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
K653-0583 Screening compound: ethyl 4-{[2-({1-[(4-methoxyphenyl)sulfonyl]-1H-1,3-benzimidazol-2-yl}sulfanyl)acetyl]amino}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K653-0583
ethyl 4-{[2-({1-[(4-methoxyphenyl)sulfonyl]-1H-1,3-benzimidazol-2-yl}sulfanyl)acetyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

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

K653-0583

Molecular Formula

C24H28N4O6S2 (C24 H28 N4 O6 S2)

Compound Name

ethyl 4-{[2-({1-[(4-methoxyphenyl)sulfonyl]-1H-1,3-benzimidazol-2-yl}sulfanyl)acetyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-(2-{[1-(4-methoxybenzenesulfonyl)-1H-13-benzodiazol-2-yl]sulfanyl}acetamido)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(CSc1nc(cccc2)c2n1S(c(cc1)ccc1OC)(=O)=O)=O)=O

InChI

InChI=1S/C24H28N4O6S2/c1-3-34-24(30)27-14-12-17(13-15-27)25-22(29)16-35-23-26-20-6-4-5-7-21(20)28(23)36(31,32)19-10-8-18(33-2)9-11-19/h4-11,17H,3,12-16H2,1-2H3,(H,25,29)

InChI Key

FEZWSYLWUUXKTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.72

Polar Surface Area

91.385

Acid Dissociation Constant (pKa)

16.45

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with K653-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K653-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K653-0583
  • 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 K653-0583 available by request