0250-0035 Screening compound: TERT-BUTYL[(3E)-1-(TERT-BUTYLAMINO)-4-CHLORO-2,4-DINITROBUTA-1,3-DIEN-1-YL]AMINE

0250-0035 Screening compound: TERT-BUTYL[(3E)-1-(TERT-BUTYLAMINO)-4-CHLORO-2,4-DINITROBUTA-1,3-DIEN-1-YL]AMINE
0250-0035 Screening compound: TERT-BUTYL[(3E)-1-(TERT-BUTYLAMINO)-4-CHLORO-2,4-DINITROBUTA-1,3-DIEN-1-YL]AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 0250-0035
TERT-BUTYL[(3E)-1-(TERT-BUTYLAMINO)-4-CHLORO-2,4-DINITROBUTA-1,3-DIEN-1-YL]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

0250-0035

Molecular Formula

C12H21ClN4O4 (C12 H21 ClN4 O4)

Compound Name

TERT-BUTYL[(3E)-1-(TERT-BUTYLAMINO)-4-CHLORO-2,4-DINITROBUTA-1,3-DIEN-1-YL]AMINE

IUPAC name

n/a

SMILES

CC(C)(C)NC(NC(C)(C)C)=C(/C=C(\[N+]([O-])=O)/Cl)[N+]([O-])=O

InChI

InChI=1S/C12H21ClN4O4/c1-11(2,3)14-10(15-12(4,5)6)8(16(18)19)7-9(13)17(20)21/h7,14-15H,1-6H3

InChI Key

DZDGZBNSRLGWHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.254

Distribution Coefficient, logD

3.254

Water Solubility, LogSw

-3.77

Polar Surface Area

84.826

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0250-0035 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0250-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0250-0035?
Check Price and Availability of 0250-0035, 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 0250-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0250-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0250-0035
  • 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 0250-0035 available by request