0831-1166 Screening compound: benzyl N-{2-[(2-benzoyl-4-bromoanilino)carbonyl]cyclohexyl}carbamate

0831-1166 Screening compound: benzyl N-{2-[(2-benzoyl-4-bromoanilino)carbonyl]cyclohexyl}carbamate
0831-1166 Screening compound: benzyl N-{2-[(2-benzoyl-4-bromoanilino)carbonyl]cyclohexyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1166
benzyl N-{2-[(2-benzoyl-4-bromoanilino)carbonyl]cyclohexyl}carbamate

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

0831-1166

Molecular Formula

C28H27BrN2O4 (C28 H27 BrN2 O4)

Compound Name

benzyl N-{2-[(2-benzoyl-4-bromoanilino)carbonyl]cyclohexyl}carbamate

IUPAC name

n/a

SMILES

O=C(C(CCCC1)C1NC(OCc1ccccc1)=O)Nc(ccc(Br)c1)c1C(c1ccccc1)=O

InChI

InChI=1S/C28H27BrN2O4/c29-21-15-16-25(23(17-21)26(32)20-11-5-2-6-12-20)30-27(33)22-13-7-8-14-24(22)31-28(34)35-18-19-9-3-1-4-10-19/h1-6,9-12,15-17,22,24H,7-8,13-14,18H2,(H,30,33)(H,31,34)

InChI Key

VCRDWUMPACXDSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00524992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.701

Distribution Coefficient, logD

6.659

Water Solubility, LogSw

-5.85

Polar Surface Area

69.084

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

8.00

0831-1166 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0831-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1166?
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What is the minimum amount of 0831-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1166
  • 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 0831-1166 available by request