C800-0979 Screening compound: tert-butyl 4-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperazine-1-carboxylate

C800-0979 Screening compound: tert-butyl 4-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
C800-0979 Screening compound: tert-butyl 4-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0979
tert-butyl 4-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperazine-1-carboxylate

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

C800-0979

Molecular Formula

C19H27N3O4S (C19 H27 N3 O4 S)

Compound Name

tert-butyl 4-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperazine-1-carboxylate

IUPAC name

tert-butyl 4-[(1-ethyl-1H-indol-5-yl)sulfonyl]piperazine-1-carboxylate

SMILES

CCn(cc1)c(cc2)c1cc2S(N(CC1)CCN1C(OC(C)(C)C)=O)(=O)=O

InChI

InChI=1S/C19H27N3O4S/c1-5-20-9-8-15-14-16(6-7-17(15)20)27(24,25)22-12-10-21(11-13-22)18(23)26-19(2,3)4/h6-9,14H,5,10-13H2,1-4H3

InChI Key

KSXCCECOKIVBKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.500

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-3.72

Polar Surface Area

55.674

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

References: we are preparing a list of scientific research reports with C800-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0979?
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What is the minimum amount of C800-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0979
  • 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 C800-0979 available by request