F711-0038 Screening compound: methyl 4-({[5-(hydroxymethyl)-1-[(methylcarbamoyl)methyl]-1H-imidazol-2-yl]sulfanyl}methyl)benzoate

F711-0038 Screening compound: methyl 4-({[5-(hydroxymethyl)-1-[(methylcarbamoyl)methyl]-1H-imidazol-2-yl]sulfanyl}methyl)benzoate
F711-0038 Screening compound: methyl 4-({[5-(hydroxymethyl)-1-[(methylcarbamoyl)methyl]-1H-imidazol-2-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F711-0038
methyl 4-({[5-(hydroxymethyl)-1-[(methylcarbamoyl)methyl]-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

F711-0038

Molecular Formula

C16H19N3O4S (C16 H19 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CNC(Cn1c(SCc(cc2)ccc2C(OC)=O)ncc1CO)=O

InChI

InChI=1S/C16H19N3O4S/c1-17-14(21)8-19-13(9-20)7-18-16(19)24-10-11-3-5-12(6-4-11)15(22)23-2/h3-7,20H,8-10H2,1-2H3,(H,17,21)

InChI Key

ZAVCUIIKWRFDOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08538322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.699

Distribution Coefficient, logD

0.686

Water Solubility, LogSw

-2.02

Polar Surface Area

74.426

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with F711-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F711-0038?
Check Price and Availability of F711-0038, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F711-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F711-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F711-0038
  • 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 F711-0038 available by request