SC68-1655 Screening compound: 4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-[(3-fluorophenyl)sulfonyl]-2-azaspiro[4.5]decane

SC68-1655 Screening compound: 4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-[(3-fluorophenyl)sulfonyl]-2-azaspiro[4.5]decane
SC68-1655 Screening compound: 4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-[(3-fluorophenyl)sulfonyl]-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1655
4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-[(3-fluorophenyl)sulfonyl]-2-azaspiro[4.5]decane

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

SC68-1655

Molecular Formula

C21H27FN4O2S (C21 H27 FN4 O2 S)

Compound Name

4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-[(3-fluorophenyl)sulfonyl]-2-azaspiro[4.5]decane

IUPAC name

4-[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]-2-(3-fluorobenzenesulfonyl)-2-azaspiro[4.5]decane

SMILES

O=S(c1cc(F)ccc1)(N(C1)CC2(CCCCC2)C1c1nncn1CC1CC1)=O

InChI

InChI=1S/C21H27FN4O2S/c22-17-5-4-6-18(11-17)29(27,28)26-13-19(21(14-26)9-2-1-3-10-21)20-24-23-15-25(20)12-16-7-8-16/h4-6,11,15-16,19H,1-3,7-10,12-14H2/t19-/m0/s1

InChI Key

ZHCOHTHZIXRBOL-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.160

Distribution Coefficient, logD

3.160

Water Solubility, LogSw

-3.31

Polar Surface Area

56.711

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with SC68-1655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1655?
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What is the minimum amount of SC68-1655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1655
  • 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 SC68-1655 available by request