8010-9657 Screening compound: 6-chloro-4-(2-chlorophenyl)-6',6'-dimethyl-2'-thioxo-2',3,3',4,5',6'-hexahydro-1'H-spiro[chromene-2,4'-pyrimidin]-7-yl acetate

8010-9657 Screening compound: 6-chloro-4-(2-chlorophenyl)-6',6'-dimethyl-2'-thioxo-2',3,3',4,5',6'-hexahydro-1'H-spiro[chromene-2,4'-pyrimidin]-7-yl acetate
8010-9657 Screening compound: 6-chloro-4-(2-chlorophenyl)-6',6'-dimethyl-2'-thioxo-2',3,3',4,5',6'-hexahydro-1'H-spiro[chromene-2,4'-pyrimidin]-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9657
6-chloro-4-(2-chlorophenyl)-6',6'-dimethyl-2'-thioxo-2',3,3',4,5',6'-hexahydro-1'H-spiro[chromene-2,4'-pyrimidin]-7-yl acetate

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

8010-9657

Molecular Formula

C22H22Cl2N2O3S (C22 H22 Cl2 N2 O3 S)

Compound Name

6-chloro-4-(2-chlorophenyl)-6',6'-dimethyl-2'-thioxo-2',3,3',4,5',6'-hexahydro-1'H-spiro[chromene-2,4'-pyrimidin]-7-yl acetate

IUPAC name

6-chloro-4-(2-chlorophenyl)-4'4'-dimethyl-6'-sulfanylidene-34-dihydrospiro[1-benzopyran-22'-[15]diazinan]-7-yl acetate

SMILES

CC(C)(CC(CC(c(cccc1)c1Cl)c1c2)(N3)Oc1cc(OC(C)=O)c2Cl)NC3=S

InChI

InChI=1S/C22H22Cl2N2O3S/c1-12(27)28-19-9-18-14(8-17(19)24)15(13-6-4-5-7-16(13)23)10-22(29-18)11-21(2,3)25-20(30)26-22/h4-9,15H,10-11H2,1-3H3,(H2,25,26,30)

InChI Key

WYOINXSZSIWJFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

5.296

Water Solubility, LogSw

-5.87

Polar Surface Area

50.540

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with 8010-9657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9657?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9657
  • 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 8010-9657 available by request