SC02-0754 Screening compound: N-[1-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

SC02-0754 Screening compound: N-[1-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
SC02-0754 Screening compound: N-[1-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0754
N-[1-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

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

SC02-0754

Molecular Formula

C17H24ClN5O5S (C17 H24 ClN5 O5 S)

Compound Name

N-[1-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

IUPAC name

N-(1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methyl-12-oxazole-3-carbonyl}-3-(2-methoxyethyl)pyrrolidin-3-yl)methanesulfonamide

SMILES

Cc1c(Cn2ncc(Cl)c2)c(C(N(CC2)CC2(CCOC)NS(C)(=O)=O)=O)no1

InChI

InChI=1S/C17H24ClN5O5S/c1-12-14(10-23-9-13(18)8-19-23)15(20-28-12)16(24)22-6-4-17(11-22,5-7-27-2)21-29(3,25)26/h8-9,21H,4-7,10-11H2,1-3H3/t17-/m1/s1

InChI Key

OWOBOQABSKSVML-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32250977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.93

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.220

Distribution Coefficient, logD

0.220

Water Solubility, LogSw

-2.55

Polar Surface Area

105.305

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

References: we are preparing a list of scientific research reports with SC02-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0754?
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What is the minimum amount of SC02-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0754
  • 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 SC02-0754 available by request