C250-0199 Screening compound: 2-{[3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide

C250-0199 Screening compound: 2-{[3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
C250-0199 Screening compound: 2-{[3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0199
2-{[3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide

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

C250-0199

Molecular Formula

C23H22ClF2N3OS (C23 H22 ClF2 N3 OS)

Compound Name

2-{[3-(4-chlorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide

IUPAC name

2-{[3-(4-chlorophenyl)-14-diazaspiro[4.6]undeca-13-dien-2-yl]sulfanyl}-N-(24-difluorophenyl)acetamide

SMILES

O=C(CSC1=NC2(CCCCCC2)N=C1c(cc1)ccc1Cl)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C23H22ClF2N3OS/c24-16-7-5-15(6-8-16)21-22(29-23(28-21)11-3-1-2-4-12-23)31-14-20(30)27-19-10-9-17(25)13-18(19)26/h5-10,13H,1-4,11-12,14H2,(H,27,30)

InChI Key

YLHQXJODVPEZHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.345

Distribution Coefficient, logD

5.338

Water Solubility, LogSw

-5.99

Polar Surface Area

39.863

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C250-0199 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 C250-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0199?
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What is the minimum amount of C250-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0199
  • 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 C250-0199 available by request