SB32-0953 Screening compound: (2-ethoxyphenyl)[(3S,4S)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone

SB32-0953 Screening compound: (2-ethoxyphenyl)[(3S,4S)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone
SB32-0953 Screening compound: (2-ethoxyphenyl)[(3S,4S)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB32-0953
(2-ethoxyphenyl)[(3S,4S)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone

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

SB32-0953

Molecular Formula

C23H26N4O3 (C23 H26 N4 O3)

Compound Name

(2-ethoxyphenyl)[(3S,4S)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone

IUPAC name

5-[(3S4S)-1-(2-ethoxybenzoyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-phenyl-1H-124-triazole

SMILES

CCOc(cccc1)c1C(N(C[C@@H]1COC)C[C@@H]1c1nc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C23H26N4O3/c1-3-30-20-12-8-7-11-18(20)23(28)27-13-17(15-29-2)19(14-27)22-24-21(25-26-22)16-9-5-4-6-10-16/h4-12,17,19H,3,13-15H2,1-2H3,(H,24,25,26)/t17-,19+/m0/s1

InChI Key

RDOQTRCXAXQIIF-PKOBYXMFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

3.322

Water Solubility, LogSw

-3.61

Polar Surface Area

66.267

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.78

SB32-0953 in Drug Discovery

Included in Screening Libraries

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 SB32-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB32-0953?
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What is the minimum amount of SB32-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB32-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB32-0953
  • 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 SB32-0953 available by request