SC02-0768 Screening compound: N-(3-(2-methoxyethyl)-1-{[5-methyl-4-(phenoxymethyl)-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)methanesulfonamide

SC02-0768 Screening compound: N-(3-(2-methoxyethyl)-1-{[5-methyl-4-(phenoxymethyl)-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)methanesulfonamide
SC02-0768 Screening compound: N-(3-(2-methoxyethyl)-1-{[5-methyl-4-(phenoxymethyl)-3-isoxazolyl]carbonyl}tetrahydro-1H-pyrrol-3-yl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0768
N-(3-(2-methoxyethyl)-1-{[5-methyl-4-(phenoxymethyl)-3-isoxazolyl]carbonyl}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

SC02-0768

Molecular Formula

C20H27N3O6S (C20 H27 N3 O6 S)

Compound Name

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

IUPAC name

N-[3-(2-methoxyethyl)-1-[5-methyl-4-(phenoxymethyl)-12-oxazole-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide

SMILES

Cc1c(COc2ccccc2)c(C(N(CC2)CC2(CCOC)NS(C)(=O)=O)=O)no1

InChI

InChI=1S/C20H27N3O6S/c1-15-17(13-28-16-7-5-4-6-8-16)18(21-29-15)19(24)23-11-9-20(14-23,10-12-27-2)22-30(3,25)26/h4-8,22H,9-14H2,1-3H3/t20-/m1/s1

InChI Key

OPEPLYKJAHFNDC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32250979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.240

Distribution Coefficient, logD

1.240

Water Solubility, LogSw

-2.32

Polar Surface Area

98.027

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC02-0768 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC02-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0768?
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What is the minimum amount of SC02-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0768
  • 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 SC02-0768 available by request