K630-0110 Screening compound: 4-bromo-2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)phenol

K630-0110 Screening compound: 4-bromo-2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)phenol
K630-0110 Screening compound: 4-bromo-2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound K630-0110
4-bromo-2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)phenol

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

K630-0110

Molecular Formula

C22H19BrN2O3 (C22 H19 BrN2 O3)

Compound Name

4-bromo-2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)phenol

IUPAC name

4-bromo-2-({[2-(4-ethoxyphenyl)-13-benzoxazol-5-yl]amino}methyl)phenol

SMILES

CCOc(cc1)ccc1-c1nc(cc(cc2)NCc(cc(cc3)Br)c3O)c2o1

InChI

InChI=1S/C22H19BrN2O3/c1-2-27-18-7-3-14(4-8-18)22-25-19-12-17(6-10-21(19)28-22)24-13-15-11-16(23)5-9-20(15)26/h3-12,24,26H,2,13H2,1H3

InChI Key

NJVNHWWHMYQINK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.550

Distribution Coefficient, logD

5.549

Water Solubility, LogSw

-5.32

Polar Surface Area

50.955

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K630-0110 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with K630-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K630-0110?
Check Price and Availability of K630-0110, 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 K630-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K630-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K630-0110
  • 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 K630-0110 available by request