SB18-0510 Screening compound: N-[(3S,5S)-1-({4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

SB18-0510 Screening compound: N-[(3S,5S)-1-({4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide
SB18-0510 Screening compound: N-[(3S,5S)-1-({4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-0510
N-[(3S,5S)-1-({4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

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

SB18-0510

Molecular Formula

C22H27N7O3 (C22 H27 N7 O3)

Compound Name

N-[(3S,5S)-1-({4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

IUPAC name

N-[(3S5S)-1-{4-[(dimethylamino)methyl]-5-methyl-12-oxazole-3-carbonyl}-5-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]acetamide

SMILES

CC(N[C@@H](C[C@H]1c2nc(-c3ccccc3)n[nH]2)CN1C(c1noc(C)c1CN(C)C)=O)=O

InChI

InChI=1S/C22H27N7O3/c1-13-17(12-28(3)4)19(27-32-13)22(31)29-11-16(23-14(2)30)10-18(29)21-24-20(25-26-21)15-8-6-5-7-9-15/h5-9,16,18H,10-12H2,1-4H3,(H,23,30)(H,24,25,26)/t16-,18+/m1/s1

InChI Key

KMVDAEFNTJBHDV-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.072

Distribution Coefficient, logD

-4.213

Water Solubility, LogSw

-1.93

Polar Surface Area

100.630

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

12.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with SB18-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0510?
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What is the minimum amount of SB18-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0510
  • 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 SB18-0510 available by request