SB18-1295 Screening compound: N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

SB18-1295 Screening compound: N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide
SB18-1295 Screening compound: N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-1295
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)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

SB18-1295

Molecular Formula

C23H31N5O3 (C23 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c([C@H](C[C@@H](C2)NC(C3CCOCC3)=O)N2C(CCCc2ccccc2)=O)n1

InChI

InChI=1S/C23H31N5O3/c1-16-24-22(27-26-16)20-14-19(25-23(30)18-10-12-31-13-11-18)15-28(20)21(29)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,18-20H,5,8-15H2,1H3,(H,25,30)(H,24,26,27)/t19-,20+/m0/s1

InChI Key

BHCAZOFLIFRTKJ-VQTJNVASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.264

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-2.56

Polar Surface Area

81.798

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.52

SB18-1295 in Drug Discovery

Included in Screening Libraries

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

Natural-Product-Based Library (3730 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with SB18-1295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-1295?
Check Price and Availability of SB18-1295, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB18-1295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-1295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-1295
  • 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 SB18-1295 available by request