SB18-0399 Screening compound: N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide

SB18-0399 Screening compound: N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide
SB18-0399 Screening compound: N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-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 SB18-0399
N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-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

SB18-0399

Molecular Formula

C23H25N5O3 (C23 H25 N5 O3)

Compound Name

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

IUPAC name

N-[(3S5S)-1-(4-methoxy-2-methylbenzoyl)-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(c(cc2)c(C)cc2OC)=O)n1

InChI

InChI=1S/C23H25N5O3/c1-14-11-18(31-3)9-10-19(14)23(30)28-13-17(12-20(28)21-24-15(2)26-27-21)25-22(29)16-7-5-4-6-8-16/h4-11,17,20H,12-13H2,1-3H3,(H,25,29)(H,24,26,27)/t17-,20+/m1/s1

InChI Key

KDPRWPYDXVYAPE-XLIONFOSSA-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

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-3.07

Polar Surface Area

81.768

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with SB18-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0399?
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What is the minimum amount of SB18-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0399
  • 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 SB18-0399 available by request