K784-6110 Screening compound: 4-bromo-N-[(2-chlorophenyl)methyl]-N-[(cycloheptylcarbamoyl)(4-fluorophenyl)methyl]butanamide

K784-6110 Screening compound: 4-bromo-N-[(2-chlorophenyl)methyl]-N-[(cycloheptylcarbamoyl)(4-fluorophenyl)methyl]butanamide
K784-6110 Screening compound: 4-bromo-N-[(2-chlorophenyl)methyl]-N-[(cycloheptylcarbamoyl)(4-fluorophenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6110
4-bromo-N-[(2-chlorophenyl)methyl]-N-[(cycloheptylcarbamoyl)(4-fluorophenyl)methyl]butanamide

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

K784-6110

Molecular Formula

C26H31BrClFN2O2 (C26 H31 BrClFN2 O2)

Compound Name

4-bromo-N-[(2-chlorophenyl)methyl]-N-[(cycloheptylcarbamoyl)(4-fluorophenyl)methyl]butanamide

IUPAC name

4-bromo-N-[(2-chlorophenyl)methyl]-N-[(cycloheptylcarbamoyl)(4-fluorophenyl)methyl]butanamide

SMILES

O=C(CCCBr)N(Cc(cccc1)c1Cl)C(C(NC1CCCCCC1)=O)c(cc1)ccc1F

InChI

InChI=1S/C26H31BrClFN2O2/c27-17-7-12-24(32)31(18-20-8-5-6-11-23(20)28)25(19-13-15-21(29)16-14-19)26(33)30-22-9-3-1-2-4-10-22/h5-6,8,11,13-16,22,25H,1-4,7,9-10,12,17-18H2,(H,30,33)/t25-/m1/s1

InChI Key

LUWIVAQHGUBHCB-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03451607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.653

Distribution Coefficient, logD

6.653

Water Solubility, LogSw

-6.39

Polar Surface Area

39.376

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

K784-6110 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 K784-6110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6110?
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What is the minimum amount of K784-6110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6110
  • 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 K784-6110 available by request