SB18-0992 Screening compound: N-[(3S,5S)-1-[2-(3-methoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide

SB18-0992 Screening compound: N-[(3S,5S)-1-[2-(3-methoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide
SB18-0992 Screening compound: N-[(3S,5S)-1-[2-(3-methoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-0992
N-[(3S,5S)-1-[2-(3-methoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide

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

SB18-0992

Molecular Formula

C23H25N5O3 (C23 H25 N5 O3)

Compound Name

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

IUPAC name

N-[(3S5S)-1-[2-(3-methoxyphenyl)acetyl]-5-(3-methyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]benzamide

SMILES

Cc1n[nH]c([C@H](C[C@@H](C2)NC(c3ccccc3)=O)N2C(Cc2cc(OC)ccc2)=O)n1

InChI

InChI=1S/C23H25N5O3/c1-15-24-22(27-26-15)20-13-18(25-23(30)17-8-4-3-5-9-17)14-28(20)21(29)12-16-7-6-10-19(11-16)31-2/h3-11,18,20H,12-14H2,1-2H3,(H,25,30)(H,24,26,27)/t18-,20+/m0/s1

InChI Key

LWFYOCREZATBQE-AZUAARDMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.346

Water Solubility, LogSw

-2.88

Polar Surface Area

81.241

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.43

SB18-0992 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB18-0992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0992?
Check Price and Availability of SB18-0992, 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 SB18-0992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0992
  • 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 SB18-0992 available by request