1627-0007 Screening compound: 4-butoxy-2,3-dinitrophenyl 4-methylbenzoate

1627-0007 Screening compound: 4-butoxy-2,3-dinitrophenyl 4-methylbenzoate
1627-0007 Screening compound: 4-butoxy-2,3-dinitrophenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1627-0007
4-butoxy-2,3-dinitrophenyl 4-methylbenzoate

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

1627-0007

Molecular Formula

C18H18N2O7 (C18 H18 N2 O7)

Compound Name

4-butoxy-2,3-dinitrophenyl 4-methylbenzoate

IUPAC name

4-butoxy-23-dinitrophenyl 4-methylbenzoate

SMILES

CCCCOc(c([N+]([O-])=O)c1[N+]([O-])=O)ccc1OC(c1ccc(C)cc1)=O

InChI

InChI=1S/C18H18N2O7/c1-3-4-11-26-14-9-10-15(17(20(24)25)16(14)19(22)23)27-18(21)13-7-5-12(2)6-8-13/h5-10H,3-4,11H2,1-2H3

InChI Key

BUBPWFXWOAVKGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.35

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.090

Distribution Coefficient, logD

5.090

Water Solubility, LogSw

-4.91

Polar Surface Area

93.767

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

1627-0007 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 1627-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1627-0007?
Check Price and Availability of 1627-0007, 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 1627-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1627-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1627-0007
  • 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 1627-0007 available by request