000A-0027 Screening compound: methyl N-[6-(2-thienylcarbonyl)-1H-1,3-benzimidazol-2-yl]carbamate

000A-0027 Screening compound: methyl N-[6-(2-thienylcarbonyl)-1H-1,3-benzimidazol-2-yl]carbamate
000A-0027 Screening compound: methyl N-[6-(2-thienylcarbonyl)-1H-1,3-benzimidazol-2-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 000A-0027
methyl N-[6-(2-thienylcarbonyl)-1H-1,3-benzimidazol-2-yl]carbamate

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

000A-0027

Molecular Formula

C14H11N3O3S (C14 H11 N3 O3 S)

Compound Name

methyl N-[6-(2-thienylcarbonyl)-1H-1,3-benzimidazol-2-yl]carbamate

IUPAC name

methyl N-[6-(thiophene-2-carbonyl)-1H-13-benzodiazol-2-yl]carbamate

SMILES

COC(Nc1nc(ccc(C(c2cccs2)=O)c2)c2[nH]1)=O

InChI

InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)

InChI Key

KYRVNWMVYQXFEU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.721

Distribution Coefficient, logD

2.720

Water Solubility, LogSw

-3.39

Polar Surface Area

67.013

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

000A-0027 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 000A-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000A-0027?
Check Price and Availability of 000A-0027, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 000A-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000A-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000A-0027
  • 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 000A-0027 available by request