8018-0608 Screening compound: (1R,2S,9S,10R)-N~3~-(4-chlorophenyl)-3,15-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-ene-3-carbothioamide

8018-0608 Screening compound: (1R,2S,9S,10R)-N~3~-(4-chlorophenyl)-3,15-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-ene-3-carbothioamide
8018-0608 Screening compound: (1R,2S,9S,10R)-N~3~-(4-chlorophenyl)-3,15-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-ene-3-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0608
(1R,2S,9S,10R)-N~3~-(4-chlorophenyl)-3,15-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-ene-3-carbothioamide

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

8018-0608

Molecular Formula

C22H28ClN3S (C22 H28 ClN3 S)

Compound Name

(1R,2S,9S,10R)-N~3~-(4-chlorophenyl)-3,15-diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-ene-3-carbothioamide

IUPAC name

n/a

SMILES

S=C(Nc(cc1)ccc1Cl)N(CCC1)[C@@H]2C1=C[C@H]1[C@@H](CCCC3)N3C[C@H]2C1

InChI

InChI=1S/C22H28ClN3S/c23-18-6-8-19(9-7-18)24-22(27)26-11-3-4-15-12-16-13-17(21(15)26)14-25-10-2-1-5-20(16)25/h6-9,12,16-17,20-21H,1-5,10-11,13-14H2,(H,24,27)/t16-,17+,20-,21+/m0/s1

InChI Key

LJMIHNWGPQSCOB-KJNZLNQQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.343

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-4.56

Polar Surface Area

13.183

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

8.23

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

59.10

References: we are preparing a list of scientific research reports with 8018-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0608?
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What is the minimum amount of 8018-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0608
  • 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 8018-0608 available by request