8005-8257 Screening compound: 1,3-bis(3,3-dinitrobutyl)urea

8005-8257 Screening compound: 1,3-bis(3,3-dinitrobutyl)urea
8005-8257 Screening compound: 1,3-bis(3,3-dinitrobutyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-8257
1,3-bis(3,3-dinitrobutyl)urea

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

8005-8257

Molecular Formula

C9H16N6O9 (C9 H16 N6 O9)

Compound Name

1,3-bis(3,3-dinitrobutyl)urea

IUPAC name

13-bis(33-dinitrobutyl)urea

SMILES

CC(CCNC(NCCC(C)([N+]([O-])=O)[N+]([O-])=O)=O)([N+]([O-])=O)[N+]([O-])=O

InChI

InChI=1S/C9H16N6O9/c1-8(12(17)18,13(19)20)3-5-10-7(16)11-6-4-9(2,14(21)22)15(23)24/h3-6H2,1-2H3,(H2,10,11,16)

InChI Key

KGVZGUMDTZCSAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.26

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

-1.363

Distribution Coefficient, logD

-1.363

Water Solubility, LogSw

-0.55

Polar Surface Area

175.548

Acid Dissociation Constant (pKa)

16.15

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

88.90

8005-8257 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8005-8257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-8257?
Check Price and Availability of 8005-8257, 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 8005-8257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-8257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-8257
  • 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 8005-8257 available by request