8017-2576 Screening compound: methyl 4-(3-{4-[chloro(difluoro)methoxy]phenyl}-4-oxo-1,3-thiazolan-2-yl)benzoate

8017-2576 Screening compound: methyl 4-(3-{4-[chloro(difluoro)methoxy]phenyl}-4-oxo-1,3-thiazolan-2-yl)benzoate
8017-2576 Screening compound: methyl 4-(3-{4-[chloro(difluoro)methoxy]phenyl}-4-oxo-1,3-thiazolan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2576
methyl 4-(3-{4-[chloro(difluoro)methoxy]phenyl}-4-oxo-1,3-thiazolan-2-yl)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

8017-2576

Molecular Formula

C18H14ClF2NO4S (C18 H14 ClF2 NO4 S)

Compound Name

methyl 4-(3-{4-[chloro(difluoro)methoxy]phenyl}-4-oxo-1,3-thiazolan-2-yl)benzoate

IUPAC name

methyl 4-{3-[4-(chlorodifluoromethoxy)phenyl]-4-oxo-13-thiazolidin-2-yl}benzoate

SMILES

COC(c1ccc(C(N2c(cc3)ccc3OC(F)(F)Cl)SCC2=O)cc1)=O

InChI

InChI=1S/C18H14ClF2NO4S/c1-25-17(24)12-4-2-11(3-5-12)16-22(15(23)10-27-16)13-6-8-14(9-7-13)26-18(19,20)21/h2-9,16H,10H2,1H3/t16-/m0/s1

InChI Key

XBRKXHBSGFIJSG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06015365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

4.335

Water Solubility, LogSw

-4.85

Polar Surface Area

43.804

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

-10.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with 8017-2576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2576?
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What is the minimum amount of 8017-2576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2576
  • 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 8017-2576 available by request