4695-0565 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl furan-2-carboxylate

4695-0565 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl furan-2-carboxylate
4695-0565 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4695-0565
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl furan-2-carboxylate

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

4695-0565

Molecular Formula

C18H13N3O3 (C18 H13 N3 O3)

Compound Name

2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl furan-2-carboxylate

IUPAC name

2-(2H-123-benzotriazol-2-yl)-4-methylphenyl furan-2-carboxylate

SMILES

Cc(cc1)cc(-n2nc(cccc3)c3n2)c1OC(c1ccco1)=O

InChI

InChI=1S/C18H13N3O3/c1-12-8-9-16(24-18(22)17-7-4-10-23-17)15(11-12)21-19-13-5-2-3-6-14(13)20-21/h2-11H,1H3

InChI Key

MULPXTXVBRGCQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00223203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.16

Polar Surface Area

53.015

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4695-0565 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 4695-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4695-0565?
Check Price and Availability of 4695-0565, 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 4695-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4695-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4695-0565
  • 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 4695-0565 available by request