F514-0042 Screening compound: 1-(1-azepanyl)-3-[5-(1-pyrrolidinylsulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-propanone

F514-0042 Screening compound: 1-(1-azepanyl)-3-[5-(1-pyrrolidinylsulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-propanone
F514-0042 Screening compound: 1-(1-azepanyl)-3-[5-(1-pyrrolidinylsulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F514-0042
1-(1-azepanyl)-3-[5-(1-pyrrolidinylsulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-propanone

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

F514-0042

Molecular Formula

C19H27N5O3S (C19 H27 N5 O3 S)

Compound Name

1-(1-azepanyl)-3-[5-(1-pyrrolidinylsulfonyl)-1H-1,2,3-benzotriazol-1-yl]-1-propanone

IUPAC name

n/a

SMILES

O=C(CCn1nnc2c1ccc(S(N1CCCC1)(=O)=O)c2)N1CCCCCC1

InChI

InChI=1S/C19H27N5O3S/c25-19(22-10-3-1-2-4-11-22)9-14-24-18-8-7-16(15-17(18)20-21-24)28(26,27)23-12-5-6-13-23/h7-8,15H,1-6,9-14H2

InChI Key

DOUIJQXTTOJSER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.754

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-2.57

Polar Surface Area

74.443

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

F514-0042 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F514-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F514-0042?
Check Price and Availability of F514-0042, 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 F514-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F514-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F514-0042
  • 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 F514-0042 available by request