SB18-0268 Screening compound: N~4~-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

SB18-0268 Screening compound: N~4~-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide
SB18-0268 Screening compound: N~4~-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-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 SB18-0268
N~4~-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-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

SB18-0268

Molecular Formula

C19H27N7O3 (C19 H27 N7 O3)

Compound Name

N~4~-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-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-(13-dimethyl-1H-pyrazole-4-carbonyl)-5-(3-methyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide

SMILES

Cc1nn(C)cc1C(N(C[C@H](C1)NC(C2CCOCC2)=O)[C@@H]1c1nc(C)n[nH]1)=O

InChI

InChI=1S/C19H27N7O3/c1-11-15(10-25(3)24-11)19(28)26-9-14(8-16(26)17-20-12(2)22-23-17)21-18(27)13-4-6-29-7-5-13/h10,13-14,16H,4-9H2,1-3H3,(H,21,27)(H,20,22,23)/t14-,16+/m1/s1

InChI Key

QKHHCLLGOPYXRR-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.467

Distribution Coefficient, logD

-0.467

Water Solubility, LogSw

-1.36

Polar Surface Area

97.487

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.16

SB18-0268 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB18-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0268?
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What is the minimum amount of SB18-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0268
  • 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 SB18-0268 available by request