Y010-2017 Screening compound: 2,4-dichloro-N-[2-(4-methoxyphenyl)-4-(1-pyrrolidinylcarbonyl)-1,2,3-thiadiazol-5(2H)-yliden]benzamide

Y010-2017 Screening compound: 2,4-dichloro-N-[2-(4-methoxyphenyl)-4-(1-pyrrolidinylcarbonyl)-1,2,3-thiadiazol-5(2H)-yliden]benzamide
Y010-2017 Screening compound: 2,4-dichloro-N-[2-(4-methoxyphenyl)-4-(1-pyrrolidinylcarbonyl)-1,2,3-thiadiazol-5(2H)-yliden]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-2017
2,4-dichloro-N-[2-(4-methoxyphenyl)-4-(1-pyrrolidinylcarbonyl)-1,2,3-thiadiazol-5(2H)-yliden]benzamide

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

Y010-2017

Molecular Formula

C21H18Cl2N4O3S (C21 H18 Cl2 N4 O3 S)

Compound Name

2,4-dichloro-N-[2-(4-methoxyphenyl)-4-(1-pyrrolidinylcarbonyl)-1,2,3-thiadiazol-5(2H)-yliden]benzamide

IUPAC name

24-dichloro-N-[(5Z)-2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-25-dihydro-123-thiadiazol-5-ylidene]benzamide

SMILES

COc(cc1)ccc1N(N=C1C(N2CCCC2)=O)S/C1=N\C(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C21H18Cl2N4O3S/c1-30-15-7-5-14(6-8-15)27-25-18(21(29)26-10-2-3-11-26)20(31-27)24-19(28)16-9-4-13(22)12-17(16)23/h4-9,12H,2-3,10-11H2,1H3

InChI Key

RNNGFPIYIKPXRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07397449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.65

Polar Surface Area

58.890

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

Y010-2017 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 Y010-2017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-2017?
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What is the minimum amount of Y010-2017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-2017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-2017
  • 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 Y010-2017 available by request