C916-0335 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

C916-0335 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide
C916-0335 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C916-0335
N-(3-chloro-4-fluorophenyl)-2-{[8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}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

C916-0335

Molecular Formula

C23H23ClF2N4OS (C23 H23 ClF2 N4 OS)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-{[8-ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{[8-ethyl-3-(4-fluorophenyl)-148-triazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}acetamide

SMILES

CCN(CC1)CCC1(N=C1c(cc2)ccc2F)N=C1SCC(Nc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C23H23ClF2N4OS/c1-2-30-11-9-23(10-12-30)28-21(15-3-5-16(25)6-4-15)22(29-23)32-14-20(31)27-17-7-8-19(26)18(24)13-17/h3-8,13H,2,9-12,14H2,1H3,(H,27,31)

InChI Key

BODFEQFCHLVHSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.230

Distribution Coefficient, logD

1.588

Water Solubility, LogSw

-4.46

Polar Surface Area

43.767

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C916-0335 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 C916-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C916-0335?
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What is the minimum amount of C916-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C916-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C916-0335
  • 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 C916-0335 available by request