SB18-1207 Screening compound: N~1~-[(3S,5S)-1-(3-bromo-4-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-3-methylbutanamide

SB18-1207 Screening compound: N~1~-[(3S,5S)-1-(3-bromo-4-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-3-methylbutanamide
SB18-1207 Screening compound: N~1~-[(3S,5S)-1-(3-bromo-4-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-1207
N~1~-[(3S,5S)-1-(3-bromo-4-methylbenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-3-methylbutanamide

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

SB18-1207

Molecular Formula

C20H26BrN5O2 (C20 H26 BrN5 O2)

Compound Name

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

IUPAC name

N-[(3S5S)-1-(3-bromo-4-methylbenzoyl)-5-(3-methyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide

SMILES

CC(C)CC(N[C@@H](C[C@H]1c2nc(C)n[nH]2)CN1C(c1cc(Br)c(C)cc1)=O)=O

InChI

InChI=1S/C20H26BrN5O2/c1-11(2)7-18(27)23-15-9-17(19-22-13(4)24-25-19)26(10-15)20(28)14-6-5-12(3)16(21)8-14/h5-6,8,11,15,17H,7,9-10H2,1-4H3,(H,23,27)(H,22,24,25)/t15-,17+/m1/s1

InChI Key

YCODNVNRWHYUDP-WBVHZDCISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-3.38

Polar Surface Area

74.282

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB18-1207 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with SB18-1207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-1207?
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What is the minimum amount of SB18-1207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-1207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-1207
  • 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 SB18-1207 available by request