SB18-0275 Screening compound: N-[(3S,5S)-1-[2-(3-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

SB18-0275 Screening compound: N-[(3S,5S)-1-[2-(3-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide
SB18-0275 Screening compound: N-[(3S,5S)-1-[2-(3-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-0275
N-[(3S,5S)-1-[2-(3-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

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

SB18-0275

Molecular Formula

C21H26ClN5O3 (C21 H26 ClN5 O3)

Compound Name

N-[(3S,5S)-1-[2-(3-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

IUPAC name

N-[(3S5S)-1-[2-(3-chlorophenyl)acetyl]-5-(3-methyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide

SMILES

Cc1n[nH]c([C@H](C[C@@H](C2)NC(C3CCOCC3)=O)N2C(Cc2cccc(Cl)c2)=O)n1

InChI

InChI=1S/C21H26ClN5O3/c1-13-23-20(26-25-13)18-11-17(24-21(29)15-5-7-30-8-6-15)12-27(18)19(28)10-14-3-2-4-16(22)9-14/h2-4,9,15,17-18H,5-8,10-12H2,1H3,(H,24,29)(H,23,25,26)/t17-,18+/m1/s1

InChI Key

SXVUJBSWJPXCDO-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.950

Distribution Coefficient, logD

1.950

Water Solubility, LogSw

-2.87

Polar Surface Area

81.798

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.38

SB18-0275 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 SB18-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0275?
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What is the minimum amount of SB18-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0275
  • 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 SB18-0275 available by request