SA95-0124 Screening compound: N-(2-bromophenyl)-2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidine-1-carboxamide

SA95-0124 Screening compound: N-(2-bromophenyl)-2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidine-1-carboxamide
SA95-0124 Screening compound: N-(2-bromophenyl)-2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA95-0124
N-(2-bromophenyl)-2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidine-1-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

SA95-0124

Molecular Formula

C21H22BrN5O (C21 H22 BrN5 O)

Compound Name

N-(2-bromophenyl)-2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidine-1-carboxamide

IUPAC name

N-(2-bromophenyl)-2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidine-1-carboxamide

SMILES

Cc1cnc(C(CCC2)N2C(Nc(cccc2)c2Br)=O)n1Cc1ccncc1

InChI

InChI=1S/C21H22BrN5O/c1-15-13-24-20(27(15)14-16-8-10-23-11-9-16)19-7-4-12-26(19)21(28)25-18-6-3-2-5-17(18)22/h2-3,5-6,8-11,13,19H,4,7,12,14H2,1H3,(H,25,28)/t19-/m0/s1

InChI Key

CYVJFYLJVDOBSB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32244700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-2.79

Polar Surface Area

45.411

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

SA95-0124 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA95-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA95-0124?
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What is the minimum amount of SA95-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA95-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA95-0124
  • 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 SA95-0124 available by request