D010-0175 Screening compound: N-[(3-methylthiophen-2-yl)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-amine

D010-0175 Screening compound: N-[(3-methylthiophen-2-yl)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-amine
D010-0175 Screening compound: N-[(3-methylthiophen-2-yl)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D010-0175
N-[(3-methylthiophen-2-yl)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-amine

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

D010-0175

Molecular Formula

C16H17N3S (C16 H17 N3 S)

Compound Name

N-[(3-methylthiophen-2-yl)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-amine

IUPAC name

N-[(3-methylthiophen-2-yl)methyl]-1-(prop-2-en-1-yl)-1H-13-benzodiazol-2-amine

SMILES

Cc1c(CNc2nc(cccc3)c3n2CC=C)scc1

InChI

InChI=1S/C16H17N3S/c1-3-9-19-14-7-5-4-6-13(14)18-16(19)17-11-15-12(2)8-10-20-15/h3-8,10H,1,9,11H2,2H3,(H,17,18)

InChI Key

FTYGGUDZCGTKDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09270990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.4

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.393

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.33

Polar Surface Area

23.577

Acid Dissociation Constant (pKa)

19.42

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D010-0175 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 D010-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D010-0175?
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What is the minimum amount of D010-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D010-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D010-0175
  • 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 D010-0175 available by request