SB36-1258 Screening compound: 1-{[(2S)-1-(2,3-dimethoxybenzoyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide

SB36-1258 Screening compound: 1-{[(2S)-1-(2,3-dimethoxybenzoyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
SB36-1258 Screening compound: 1-{[(2S)-1-(2,3-dimethoxybenzoyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1258
1-{[(2S)-1-(2,3-dimethoxybenzoyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide

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

SB36-1258

Molecular Formula

C18H21F2N5O4 (C18 H21 F2 N5 O4)

Compound Name

1-{[(2S)-1-(2,3-dimethoxybenzoyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-1-(23-dimethoxybenzoyl)-44-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-123-triazole-4-carboxamide

SMILES

CNC(c1cn(C[C@H](CC(C2)(F)F)N2C(c(cccc2OC)c2OC)=O)nn1)=O

InChI

InChI=1S/C18H21F2N5O4/c1-21-16(26)13-9-24(23-22-13)8-11-7-18(19,20)10-25(11)17(27)12-5-4-6-14(28-2)15(12)29-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,21,26)/t11-/m1/s1

InChI Key

NSZNXOACAPLHBL-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.816

Distribution Coefficient, logD

0.816

Water Solubility, LogSw

-2.20

Polar Surface Area

83.528

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

References: we are preparing a list of scientific research reports with SB36-1258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1258?
Check Price and Availability of SB36-1258, 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 SB36-1258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1258
  • 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 SB36-1258 available by request