F711-0757 Screening compound: methyl 4-({[1-({[(4-chlorophenyl)methyl]carbamoyl}methyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate

F711-0757 Screening compound: methyl 4-({[1-({[(4-chlorophenyl)methyl]carbamoyl}methyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate
F711-0757 Screening compound: methyl 4-({[1-({[(4-chlorophenyl)methyl]carbamoyl}methyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F711-0757
methyl 4-({[1-({[(4-chlorophenyl)methyl]carbamoyl}methyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate

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

F711-0757

Molecular Formula

C22H22ClN3O4S (C22 H22 ClN3 O4 S)

Compound Name

methyl 4-({[1-({[(4-chlorophenyl)methyl]carbamoyl}methyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate

IUPAC name

methyl 4-({[1-({[(4-chlorophenyl)methyl]carbamoyl}methyl)-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate

SMILES

COC(c1ccc(CSc2ncc(CO)n2CC(NCc(cc2)ccc2Cl)=O)cc1)=O

InChI

InChI=1S/C22H22ClN3O4S/c1-30-21(29)17-6-2-16(3-7-17)14-31-22-25-11-19(13-27)26(22)12-20(28)24-10-15-4-8-18(23)9-5-15/h2-9,11,27H,10,12-14H2,1H3,(H,24,28)

InChI Key

ABCNWIFLYUANRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08933580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.207

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.60

Polar Surface Area

74.004

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with F711-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F711-0757?
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What is the minimum amount of F711-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F711-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F711-0757
  • 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 F711-0757 available by request