SB91-1513 Screening compound: N-{1-[(2-chlorophenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-(2-morpholinoethyl)acetamide

SB91-1513 Screening compound: N-{1-[(2-chlorophenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-(2-morpholinoethyl)acetamide
SB91-1513 Screening compound: N-{1-[(2-chlorophenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-(2-morpholinoethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-1513
N-{1-[(2-chlorophenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-(2-morpholinoethyl)acetamide

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

SB91-1513

Molecular Formula

C18H26ClN3O4S (C18 H26 ClN3 O4 S)

Compound Name

N-{1-[(2-chlorophenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-(2-morpholinoethyl)acetamide

IUPAC name

N-[1-(2-chlorobenzenesulfonyl)pyrrolidin-3-yl]-N-[2-(morpholin-4-yl)ethyl]acetamide

SMILES

CC(N(CCN1CCOCC1)C(CC1)CN1S(c(cccc1)c1Cl)(=O)=O)=O

InChI

InChI=1S/C18H26ClN3O4S/c1-15(23)22(9-8-20-10-12-26-13-11-20)16-6-7-21(14-16)27(24,25)18-5-3-2-4-17(18)19/h2-5,16H,6-14H2,1H3/t16-/m1/s1

InChI Key

MGRJKKRBHQFOEM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32250319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.819

Distribution Coefficient, logD

0.785

Water Solubility, LogSw

-2.43

Polar Surface Area

59.850

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SB91-1513 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB91-1513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-1513?
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What is the minimum amount of SB91-1513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-1513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-1513
  • 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 SB91-1513 available by request