F514-0034 Screening compound: ethyl 3-{3-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propanamido}benzoate

F514-0034 Screening compound: ethyl 3-{3-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propanamido}benzoate
F514-0034 Screening compound: ethyl 3-{3-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F514-0034
ethyl 3-{3-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propanamido}benzoate

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

F514-0034

Molecular Formula

C22H25N5O5S (C22 H25 N5 O5 S)

Compound Name

ethyl 3-{3-[5-(pyrrolidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-yl]propanamido}benzoate

IUPAC name

ethyl 3-{3-[5-(pyrrolidine-1-sulfonyl)-1H-123-benzotriazol-1-yl]propanamido}benzoate

SMILES

CCOC(c1cccc(NC(CCn2nnc3c2ccc(S(N2CCCC2)(=O)=O)c3)=O)c1)=O

InChI

InChI=1S/C22H25N5O5S/c1-2-32-22(29)16-6-5-7-17(14-16)23-21(28)10-13-27-20-9-8-18(15-19(20)24-25-27)33(30,31)26-11-3-4-12-26/h5-9,14-15H,2-4,10-13H2,1H3,(H,23,28)

InChI Key

FKWVPBFQVWXVDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.893

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-3.51

Polar Surface Area

101.623

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F514-0034 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with F514-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F514-0034?
Check Price and Availability of F514-0034, 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 F514-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F514-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F514-0034
  • 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 F514-0034 available by request