8017-9579 Screening compound: N-(3'-acetyl-4-chloro-1-ethyl-7-methyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide

8017-9579 Screening compound: N-(3'-acetyl-4-chloro-1-ethyl-7-methyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide
8017-9579 Screening compound: N-(3'-acetyl-4-chloro-1-ethyl-7-methyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9579
N-(3'-acetyl-4-chloro-1-ethyl-7-methyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl)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

8017-9579

Molecular Formula

C16H17ClN4O3S (C16 H17 ClN4 O3 S)

Compound Name

N-(3'-acetyl-4-chloro-1-ethyl-7-methyl-2-oxo-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl)acetamide

IUPAC name

N-{3'-acetyl-4-chloro-1-ethyl-7-methyl-2-oxo-12-dihydro-3'H-spiro[indole-32'-[134]thiadiazol]-5'-yl}acetamide

SMILES

CCN(C1=O)c2c(C)ccc(Cl)c2C11SC(NC(C)=O)=NN1C(C)=O

InChI

InChI=1S/C16H17ClN4O3S/c1-5-20-13-8(2)6-7-11(17)12(13)16(14(20)24)21(10(4)23)19-15(25-16)18-9(3)22/h6-7H,5H2,1-4H3,(H,18,19,22)/t16-/m0/s1

InChI Key

QNYBXPLYFQWWIF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06619479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.178

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-3.32

Polar Surface Area

67.199

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8017-9579 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-9579 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-9579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9579
  • 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 8017-9579 available by request