Y010-2002 Screening compound: N-benzyl-2-(4-chlorophenyl)-5-[(4-methoxybenzoyl)imino]-1,2,3-thiadiazole-4(2H)-carboxamide

Y010-2002 Screening compound: N-benzyl-2-(4-chlorophenyl)-5-[(4-methoxybenzoyl)imino]-1,2,3-thiadiazole-4(2H)-carboxamide
Y010-2002 Screening compound: N-benzyl-2-(4-chlorophenyl)-5-[(4-methoxybenzoyl)imino]-1,2,3-thiadiazole-4(2H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-2002
N-benzyl-2-(4-chlorophenyl)-5-[(4-methoxybenzoyl)imino]-1,2,3-thiadiazole-4(2H)-carboxamide

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

Y010-2002

Molecular Formula

C24H19ClN4O3S (C24 H19 ClN4 O3 S)

Compound Name

N-benzyl-2-(4-chlorophenyl)-5-[(4-methoxybenzoyl)imino]-1,2,3-thiadiazole-4(2H)-carboxamide

IUPAC name

(5Z)-N-benzyl-2-(4-chlorophenyl)-5-[(4-methoxybenzoyl)imino]-25-dihydro-123-thiadiazole-4-carboxamide

SMILES

COc(cc1)ccc1C(/N=C1\SN(c(cc2)ccc2Cl)N=C1C(NCc1ccccc1)=O)=O

InChI

InChI=1S/C24H19ClN4O3S/c1-32-20-13-7-17(8-14-20)22(30)27-24-21(23(31)26-15-16-5-3-2-4-6-16)28-29(33-24)19-11-9-18(25)10-12-19/h2-14H,15H2,1H3,(H,26,31)

InChI Key

TUYZRJREHLWBBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06244796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.485

Distribution Coefficient, logD

4.485

Water Solubility, LogSw

-4.83

Polar Surface Area

66.289

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

Y010-2002 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 Y010-2002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-2002?
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What is the minimum amount of Y010-2002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-2002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-2002
  • 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 Y010-2002 available by request