SB29-0253 Screening compound: 5-{[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-4-methyl-1,3-thiazole

SB29-0253 Screening compound: 5-{[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-4-methyl-1,3-thiazole
SB29-0253 Screening compound: 5-{[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-4-methyl-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0253
5-{[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-4-methyl-1,3-thiazole

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

SB29-0253

Molecular Formula

C19H23N5OS (C19 H23 N5 OS)

Compound Name

5-{[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-4-methyl-1,3-thiazole

IUPAC name

3-[(2S4S)-4-(benzyloxy)-1-[(4-methyl-13-thiazol-5-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-124-triazole

SMILES

Cc1c(CN(C[C@H](C2)OCc3ccccc3)[C@@H]2c2n[nH]c(C)n2)scn1

InChI

InChI=1S/C19H23N5OS/c1-13-18(26-12-20-13)10-24-9-16(25-11-15-6-4-3-5-7-15)8-17(24)19-21-14(2)22-23-19/h3-7,12,16-17H,8-11H2,1-2H3,(H,21,22,23)/t16-,17+/m1/s1

InChI Key

PMPNPXKUFJCZDQ-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.554

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-2.60

Polar Surface Area

54.474

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

SB29-0253 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB29-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0253?
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What is the minimum amount of SB29-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0253
  • 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 SB29-0253 available by request