1185-0070 Screening compound: 3-bromo-N'-[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]benzohydrazide

1185-0070 Screening compound: 3-bromo-N'-[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]benzohydrazide
1185-0070 Screening compound: 3-bromo-N'-[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1185-0070
3-bromo-N'-[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]benzohydrazide

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

1185-0070

Molecular Formula

C21H18BrN3O3S (C21 H18 BrN3 O3 S)

Compound Name

3-bromo-N'-[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]benzohydrazide

IUPAC name

3-bromo-N'-[(2E)-4-(23-dihydro-14-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-23-dihydro-13-thiazol-2-ylidene]benzohydrazide

SMILES

C=CCN(C(c(cc1)cc2c1OCCO2)=CS1)/C1=N\NC(c1cccc(Br)c1)=O

InChI

InChI=1S/C21H18BrN3O3S/c1-2-8-25-17(14-6-7-18-19(12-14)28-10-9-27-18)13-29-21(25)24-23-20(26)15-4-3-5-16(22)11-15/h2-7,11-13H,1,8-10H2,(H,23,26)

InChI Key

IYKOHLRKPADHFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01534578

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

472.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.457

Distribution Coefficient, logD

3.580

Water Solubility, LogSw

-4.50

Polar Surface Area

54.523

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1185-0070 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1185-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1185-0070?
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What is the minimum amount of 1185-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1185-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1185-0070
  • 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 1185-0070 available by request