SB35-1023 Screening compound: 5-{(2S)-4,4-difluoro-1-[(5-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-2-yl}-3-methyl-1H-1,2,4-triazole

SB35-1023 Screening compound: 5-{(2S)-4,4-difluoro-1-[(5-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-2-yl}-3-methyl-1H-1,2,4-triazole
SB35-1023 Screening compound: 5-{(2S)-4,4-difluoro-1-[(5-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-2-yl}-3-methyl-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB35-1023
5-{(2S)-4,4-difluoro-1-[(5-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-2-yl}-3-methyl-1H-1,2,4-triazole

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

SB35-1023

Molecular Formula

C13H16F2N4S (C13 H16 F2 N4 S)

Compound Name

5-{(2S)-4,4-difluoro-1-[(5-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-2-yl}-3-methyl-1H-1,2,4-triazole

IUPAC name

5-[(2S)-44-difluoro-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1H-124-triazole

SMILES

Cc1ccc(CN(CC(C2)(F)F)[C@@H]2c2nc(C)n[nH]2)s1

InChI

InChI=1S/C13H16F2N4S/c1-8-3-4-10(20-8)6-19-7-13(14,15)5-11(19)12-16-9(2)17-18-12/h3-4,11H,5-7H2,1-2H3,(H,16,17,18)/t11-/m0/s1

InChI Key

HJVCNGMFKJLFGW-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.538

Distribution Coefficient, logD

2.537

Water Solubility, LogSw

-2.61

Polar Surface Area

38.546

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

SB35-1023 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with SB35-1023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB35-1023?
Check Price and Availability of SB35-1023, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB35-1023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB35-1023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB35-1023
  • 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 SB35-1023 available by request