3514-0015 Screening compound: 4-({[2-(4-bromophenyl)-1,3-benzoxazol-6-yl]amino}carbonyl)phenyl acetate

3514-0015 Screening compound: 4-({[2-(4-bromophenyl)-1,3-benzoxazol-6-yl]amino}carbonyl)phenyl acetate
3514-0015 Screening compound: 4-({[2-(4-bromophenyl)-1,3-benzoxazol-6-yl]amino}carbonyl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3514-0015
4-({[2-(4-bromophenyl)-1,3-benzoxazol-6-yl]amino}carbonyl)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

3514-0015

Molecular Formula

C22H15BrN2O4 (C22 H15 BrN2 O4)

Compound Name

4-({[2-(4-bromophenyl)-1,3-benzoxazol-6-yl]amino}carbonyl)phenyl acetate

IUPAC name

4-{[2-(4-bromophenyl)-13-benzoxazol-6-yl]carbamoyl}phenyl acetate

SMILES

CC(Oc(cc1)ccc1C(Nc(cc1)cc2c1nc(-c(cc1)ccc1Br)o2)=O)=O

InChI

InChI=1S/C22H15BrN2O4/c1-13(26)28-18-9-4-14(5-10-18)21(27)24-17-8-11-19-20(12-17)29-22(25-19)15-2-6-16(23)7-3-15/h2-12H,1H3,(H,24,27)

InChI Key

BXDBPAJOPPIVGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04231593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.887

Distribution Coefficient, logD

4.886

Water Solubility, LogSw

-4.72

Polar Surface Area

60.891

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

3514-0015 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3514-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3514-0015?
Check Price and Availability of 3514-0015, 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 3514-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3514-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3514-0015
  • 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 3514-0015 available by request