8017-2205 Screening compound: 7'-amino-1-(2-chlorobenzyl)-2'-[(2-fluorobenzyl)thio]-2,4'-dioxo-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile

8017-2205 Screening compound: 7'-amino-1-(2-chlorobenzyl)-2'-[(2-fluorobenzyl)thio]-2,4'-dioxo-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
8017-2205 Screening compound: 7'-amino-1-(2-chlorobenzyl)-2'-[(2-fluorobenzyl)thio]-2,4'-dioxo-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2205
7'-amino-1-(2-chlorobenzyl)-2'-[(2-fluorobenzyl)thio]-2,4'-dioxo-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile

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

8017-2205

Molecular Formula

C29H20ClFN6O2S (C29 H20 ClFN6 O2 S)

Compound Name

7'-amino-1-(2-chlorobenzyl)-2'-[(2-fluorobenzyl)thio]-2,4'-dioxo-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile

IUPAC name

7'-amino-1-[(2-chlorophenyl)methyl]-2'-{[(2-fluorophenyl)methyl]sulfanyl}-24'-dioxo-124'8'-tetrahydro-3'H-spiro[indole-35'-pyrido[23-d]pyrimidine]-6'-carbonitrile

SMILES

NC(NC(N=C(N1)SCc(cccc2)c2F)=C(C2(c(cccc3)c3N3Cc(cccc4)c4Cl)C3=O)C1=O)=C2C#N

InChI

InChI=1S/C29H20ClFN6O2S/c30-20-10-4-1-7-16(20)14-37-22-12-6-3-9-18(22)29(27(37)39)19(13-32)24(33)34-25-23(29)26(38)36-28(35-25)40-15-17-8-2-5-11-21(17)31/h1-12H,14-15,33H2,(H2,34,35,36,38)/t29-/m1/s1

InChI Key

IIANHWCJHPLYGZ-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD06015054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

4.344

Water Solubility, LogSw

-4.61

Polar Surface Area

97.981

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.34

References: we are preparing a list of scientific research reports with 8017-2205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2205?
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What is the minimum amount of 8017-2205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2205
  • 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 8017-2205 available by request