1770-0269 Screening compound: 9-allyl-2-(4-methoxyphenyl)-N~3~-phenyl-9H-imidazo[1,2-a][1,3]benzimidazole-3-carbothioamide

1770-0269 Screening compound: 9-allyl-2-(4-methoxyphenyl)-N~3~-phenyl-9H-imidazo[1,2-a][1,3]benzimidazole-3-carbothioamide
1770-0269 Screening compound: 9-allyl-2-(4-methoxyphenyl)-N~3~-phenyl-9H-imidazo[1,2-a][1,3]benzimidazole-3-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1770-0269
9-allyl-2-(4-methoxyphenyl)-N~3~-phenyl-9H-imidazo[1,2-a][1,3]benzimidazole-3-carbothioamide

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

1770-0269

Molecular Formula

C26H22N4OS (C26 H22 N4 OS)

Compound Name

9-allyl-2-(4-methoxyphenyl)-N~3~-phenyl-9H-imidazo[1,2-a][1,3]benzimidazole-3-carbothioamide

IUPAC name

4-(4-methoxyphenyl)-N-phenyl-7-(prop-2-en-1-yl)-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene-3-carbothioamide

SMILES

COc(cc1)ccc1-c1c(C(Nc2ccccc2)=S)n(c(cccc2)c2n2CC=C)c2n1

InChI

InChI=1S/C26H22N4OS/c1-3-17-29-21-11-7-8-12-22(21)30-24(25(32)27-19-9-5-4-6-10-19)23(28-26(29)30)18-13-15-20(31-2)16-14-18/h3-16H,1,17H2,2H3,(H,27,32)

InChI Key

XJTBMISVABPISP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00326107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.862

Distribution Coefficient, logD

5.098

Water Solubility, LogSw

-5.73

Polar Surface Area

27.896

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 1770-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1770-0269?
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What is the minimum amount of 1770-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1770-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1770-0269
  • 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 1770-0269 available by request