C250-0483 Screening compound: N-(4-bromo-3-methylphenyl)-2-{[5-(4-bromophenyl)-2-ethyl-2-methyl-2H-imidazol-4-yl]sulfanyl}acetamide

C250-0483 Screening compound: N-(4-bromo-3-methylphenyl)-2-{[5-(4-bromophenyl)-2-ethyl-2-methyl-2H-imidazol-4-yl]sulfanyl}acetamide
C250-0483 Screening compound: N-(4-bromo-3-methylphenyl)-2-{[5-(4-bromophenyl)-2-ethyl-2-methyl-2H-imidazol-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0483
N-(4-bromo-3-methylphenyl)-2-{[5-(4-bromophenyl)-2-ethyl-2-methyl-2H-imidazol-4-yl]sulfanyl}acetamide

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

C250-0483

Molecular Formula

C21H21Br2N3OS (C21 H21 Br2 N3 OS)

Compound Name

N-(4-bromo-3-methylphenyl)-2-{[5-(4-bromophenyl)-2-ethyl-2-methyl-2H-imidazol-4-yl]sulfanyl}acetamide

IUPAC name

N-(4-bromo-3-methylphenyl)-2-{[5-(4-bromophenyl)-2-ethyl-2-methyl-2H-imidazol-4-yl]sulfanyl}acetamide

SMILES

CCC(C)(N=C1c(cc2)ccc2Br)N=C1SCC(Nc(cc1)cc(C)c1Br)=O

InChI

InChI=1S/C21H21Br2N3OS/c1-4-21(3)25-19(14-5-7-15(22)8-6-14)20(26-21)28-12-18(27)24-16-9-10-17(23)13(2)11-16/h5-11H,4,12H2,1-3H3,(H,24,27)/t21-/m0/s1

InChI Key

BRZKKRLFVAGLJE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14735999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.024

Distribution Coefficient, logD

6.024

Water Solubility, LogSw

-5.40

Polar Surface Area

39.929

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C250-0483 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C250-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0483?
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What is the minimum amount of C250-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0483
  • 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 C250-0483 available by request