L695-0057 Screening compound: N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

L695-0057 Screening compound: N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
L695-0057 Screening compound: N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L695-0057
N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

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

L695-0057

Molecular Formula

C22H23FN4O5S (C22 H23 FN4 O5 S)

Compound Name

N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

IUPAC name

N-(2-fluorophenyl)-1-methyl-24-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1234-tetrahydroquinazoline-6-sulfonamide

SMILES

CN(c(ccc(S(Nc(cccc1)c1F)(=O)=O)c1)c1C(N1CCC(N2CCCC2)=O)=O)C1=O

InChI

InChI=1S/C22H23FN4O5S/c1-25-19-9-8-15(33(31,32)24-18-7-3-2-6-17(18)23)14-16(19)21(29)27(22(25)30)13-10-20(28)26-11-4-5-12-26/h2-3,6-9,14,24H,4-5,10-13H2,1H3

InChI Key

JXACEQWZRIYPTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27470520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.989

Distribution Coefficient, logD

1.823

Water Solubility, LogSw

-3.04

Polar Surface Area

87.993

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L695-0057 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L695-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L695-0057?
Check Price and Availability of L695-0057, 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 L695-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L695-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L695-0057
  • 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 L695-0057 available by request