K072-0028 Screening compound: 2-[(2E)-2-[(4,6-dichloro-2H-thiochromen-3-yl)methylidene]hydrazin-1-yl]-1,3-benzothiazole

K072-0028 Screening compound: 2-[(2E)-2-[(4,6-dichloro-2H-thiochromen-3-yl)methylidene]hydrazin-1-yl]-1,3-benzothiazole
K072-0028 Screening compound: 2-[(2E)-2-[(4,6-dichloro-2H-thiochromen-3-yl)methylidene]hydrazin-1-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K072-0028
2-[(2E)-2-[(4,6-dichloro-2H-thiochromen-3-yl)methylidene]hydrazin-1-yl]-1,3-benzothiazole

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

K072-0028

Molecular Formula

C17H11Cl2N3S2 (C17 H11 Cl2 N3 S2)

Compound Name

2-[(2E)-2-[(4,6-dichloro-2H-thiochromen-3-yl)methylidene]hydrazin-1-yl]-1,3-benzothiazole

IUPAC name

2-[(2E)-2-[(46-dichloro-2H-thiochromen-3-yl)methylidene]hydrazin-1-yl]-13-benzothiazole

SMILES

Clc(cc1)cc2c1SCC(/C=N/Nc1nc(cccc3)c3s1)=C2Cl

InChI

InChI=1S/C17H11Cl2N3S2/c18-11-5-6-14-12(7-11)16(19)10(9-23-14)8-20-22-17-21-13-3-1-2-4-15(13)24-17/h1-8H,9H2,(H,21,22)

InChI Key

BXAHRJILZXVHHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.824

Distribution Coefficient, logD

6.824

Water Solubility, LogSw

-6.86

Polar Surface Area

31.057

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

K072-0028 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K072-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K072-0028?
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What is the minimum amount of K072-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K072-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K072-0028
  • 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 K072-0028 available by request