0568-0783 Screening compound: 4-(5-nitro-1H-1,3-benzodiazol-1-yl)butan-1-ol

0568-0783 Screening compound: 4-(5-nitro-1H-1,3-benzodiazol-1-yl)butan-1-ol
0568-0783 Screening compound: 4-(5-nitro-1H-1,3-benzodiazol-1-yl)butan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0568-0783
4-(5-nitro-1H-1,3-benzodiazol-1-yl)butan-1-ol

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

0568-0783

Molecular Formula

C11H13N3O3 (C11 H13 N3 O3)

Compound Name

4-(5-nitro-1H-1,3-benzodiazol-1-yl)butan-1-ol

IUPAC name

4-(5-nitro-1H-13-benzodiazol-1-yl)butan-1-ol

SMILES

[O-][N+](c(cc1)cc2c1n(CCCCO)cn2)=O

InChI

InChI=1S/C11H13N3O3/c15-6-2-1-5-13-8-12-10-7-9(14(16)17)3-4-11(10)13/h3-4,7-8,15H,1-2,5-6H2

InChI Key

GONJYLAHBFMUEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00441577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.060

Distribution Coefficient, logD

1.060

Water Solubility, LogSw

-1.83

Polar Surface Area

60.710

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

0568-0783 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0568-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0568-0783?
Check Price and Availability of 0568-0783, 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 0568-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0568-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0568-0783
  • 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 0568-0783 available by request