K088-3095 Screening compound: 2-bromo-4-{[(4E)-2-(3-bromo-4-methoxyphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl acetate

K088-3095 Screening compound: 2-bromo-4-{[(4E)-2-(3-bromo-4-methoxyphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl acetate
K088-3095 Screening compound: 2-bromo-4-{[(4E)-2-(3-bromo-4-methoxyphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K088-3095
2-bromo-4-{[(4E)-2-(3-bromo-4-methoxyphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl acetate

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

K088-3095

Molecular Formula

C20H15Br2NO6 (C20 H15 Br2 NO6)

Compound Name

2-bromo-4-{[(4E)-2-(3-bromo-4-methoxyphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl acetate

IUPAC name

2-bromo-4-{[(4E)-2-(3-bromo-4-methoxyphenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}-6-methoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=C1/N=C(c(cc2)cc(Br)c2OC)OC1=O)c1)c1Br)=O

InChI

InChI=1S/C20H15Br2NO6/c1-10(24)28-18-14(22)6-11(8-17(18)27-3)7-15-20(25)29-19(23-15)12-4-5-16(26-2)13(21)9-12/h4-9H,1-3H3

InChI Key

GKNIZOHLTYMBFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01533611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.15

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-4.38

Polar Surface Area

66.561

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with K088-3095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K088-3095?
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What is the minimum amount of K088-3095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K088-3095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K088-3095
  • 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 K088-3095 available by request