Y040-9627 Screening compound: 3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-yl 3,4-dimethoxybenzoate

Y040-9627 Screening compound: 3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-yl 3,4-dimethoxybenzoate
Y040-9627 Screening compound: 3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-yl 3,4-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9627
3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-yl 3,4-dimethoxybenzoate

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

Y040-9627

Molecular Formula

C22H14F3NO5 (C22 H14 F3 NO5)

Compound Name

3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-yl 3,4-dimethoxybenzoate

IUPAC name

3-(345-trifluorophenyl)-12-benzoxazol-6-yl 34-dimethoxybenzoate

SMILES

COc(ccc(C(Oc(cc1)cc2c1c(-c(cc1F)cc(F)c1F)no2)=O)c1)c1OC

InChI

InChI=1S/C22H14F3NO5/c1-28-17-6-3-11(9-19(17)29-2)22(27)30-13-4-5-14-18(10-13)31-26-21(14)12-7-15(23)20(25)16(24)8-12/h3-10H,1-2H3

InChI Key

TUHCODYLAXDIMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12211959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.892

Distribution Coefficient, logD

4.892

Water Solubility, LogSw

-4.96

Polar Surface Area

57.805

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with Y040-9627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9627?
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What is the minimum amount of Y040-9627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9627
  • 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 Y040-9627 available by request