D632-0123 Screening compound: propyl 4-[3-(1H-1,2,3,4-tetrazol-1-yl)benzamido]benzoate

D632-0123 Screening compound: propyl 4-[3-(1H-1,2,3,4-tetrazol-1-yl)benzamido]benzoate
D632-0123 Screening compound: propyl 4-[3-(1H-1,2,3,4-tetrazol-1-yl)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D632-0123
propyl 4-[3-(1H-1,2,3,4-tetrazol-1-yl)benzamido]benzoate

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

D632-0123

Molecular Formula

C18H17N5O3 (C18 H17 N5 O3)

Compound Name

propyl 4-[3-(1H-1,2,3,4-tetrazol-1-yl)benzamido]benzoate

IUPAC name

propyl 4-[3-(1H-1234-tetrazol-1-yl)benzamido]benzoate

SMILES

CCCOC(c(cc1)ccc1NC(c1cc(-n2nnnc2)ccc1)=O)=O

InChI

InChI=1S/C18H17N5O3/c1-2-10-26-18(25)13-6-8-15(9-7-13)20-17(24)14-4-3-5-16(11-14)23-12-19-21-22-23/h3-9,11-12H,2,10H2,1H3,(H,20,24)

InChI Key

ONBUHLNCKODQST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12925956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.374

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-3.60

Polar Surface Area

84.143

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D632-0123 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D632-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D632-0123?
Check Price and Availability of D632-0123, 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 D632-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D632-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D632-0123
  • 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 D632-0123 available by request