1612-1008 Screening compound: 2-[3-(1H-1,3-benzimidazol-2-yl)-2H-chromen-2-yliden]-1-hydrazinecarbothioamide

1612-1008 Screening compound: 2-[3-(1H-1,3-benzimidazol-2-yl)-2H-chromen-2-yliden]-1-hydrazinecarbothioamide
1612-1008 Screening compound: 2-[3-(1H-1,3-benzimidazol-2-yl)-2H-chromen-2-yliden]-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1612-1008
2-[3-(1H-1,3-benzimidazol-2-yl)-2H-chromen-2-yliden]-1-hydrazinecarbothioamide

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

1612-1008

Molecular Formula

C17H13N5OS (C17 H13 N5 OS)

Compound Name

2-[3-(1H-1,3-benzimidazol-2-yl)-2H-chromen-2-yliden]-1-hydrazinecarbothioamide

IUPAC name

{[(2E)-3-(1H-13-benzodiazol-2-yl)-2H-chromen-2-ylidene]amino}thiourea

SMILES

NC(N/N=C1/Oc(cccc2)c2C=C1c1nc(cccc2)c2[nH]1)=S

InChI

InChI=1S/C17H13N5OS/c18-17(24)22-21-16-11(9-10-5-1-4-8-14(10)23-16)15-19-12-6-2-3-7-13(12)20-15/h1-9H,(H,19,20)(H3,18,22,24)

InChI Key

LYJKQEKOCRPJBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.47

Polar Surface Area

68.604

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1612-1008 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1612-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1612-1008?
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What is the minimum amount of 1612-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1612-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1612-1008
  • 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 1612-1008 available by request