SB18-0257 Screening compound: N-[(3S,5S)-1-[(2,5-dimethyl-3-furyl)carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

SB18-0257 Screening compound: N-[(3S,5S)-1-[(2,5-dimethyl-3-furyl)carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide
SB18-0257 Screening compound: N-[(3S,5S)-1-[(2,5-dimethyl-3-furyl)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 SB18-0257
N-[(3S,5S)-1-[(2,5-dimethyl-3-furyl)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

SB18-0257

Molecular Formula

C20H27N5O4 (C20 H27 N5 O4)

Compound Name

N-[(3S,5S)-1-[(2,5-dimethyl-3-furyl)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-(25-dimethylfuran-3-carbonyl)-5-(3-methyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide

SMILES

Cc1cc(C(N(C[C@H](C2)NC(C3CCOCC3)=O)[C@@H]2c2nc(C)n[nH]2)=O)c(C)o1

InChI

InChI=1S/C20H27N5O4/c1-11-8-16(12(2)29-11)20(27)25-10-15(9-17(25)18-21-13(3)23-24-18)22-19(26)14-4-6-28-7-5-14/h8,14-15,17H,4-7,9-10H2,1-3H3,(H,22,26)(H,21,23,24)/t15-,17+/m1/s1

InChI Key

KTPLHAJPBKHESN-WBVHZDCISA-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

9

Partition Coefficient, logP

1.001

Distribution Coefficient, logD

1.000

Water Solubility, LogSw

-1.93

Polar Surface Area

90.072

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

SB18-0257 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB18-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0257?
Check Price and Availability of SB18-0257, 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 SB18-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0257
  • 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 SB18-0257 available by request