2642-1698 Screening compound: 4-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamoyl}phenyl acetate

2642-1698 Screening compound: 4-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamoyl}phenyl acetate
2642-1698 Screening compound: 4-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamoyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2642-1698
4-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamoyl}phenyl 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

2642-1698

Molecular Formula

C22H16N2O5 (C22 H16 N2 O5)

Compound Name

4-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamoyl}phenyl acetate

IUPAC name

4-{[3-(13-benzoxazol-2-yl)-4-hydroxyphenyl]carbamoyl}phenyl acetate

SMILES

CC(Oc(cc1)ccc1C(Nc(cc1)cc(-c2nc(cccc3)c3o2)c1O)=O)=O

InChI

InChI=1S/C22H16N2O5/c1-13(25)28-16-9-6-14(7-10-16)21(27)23-15-8-11-19(26)17(12-15)22-24-18-4-2-3-5-20(18)29-22/h2-12,26H,1H3,(H,23,27)

InChI Key

ZYCLDQGIVXRHHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01648007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.08

Polar Surface Area

77.439

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2642-1698 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2642-1698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2642-1698?
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What is the minimum amount of 2642-1698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2642-1698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2642-1698
  • 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 2642-1698 available by request