D633-0159 Screening compound: methyl 4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzamido]benzoate

D633-0159 Screening compound: methyl 4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzamido]benzoate
D633-0159 Screening compound: methyl 4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D633-0159
methyl 4-[4-(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

D633-0159

Molecular Formula

C16H13N5O3 (C16 H13 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(c(cc1)ccc1-n1nnnc1)=O)=O

InChI

InChI=1S/C16H13N5O3/c1-24-16(23)12-2-6-13(7-3-12)18-15(22)11-4-8-14(9-5-11)21-10-17-19-20-21/h2-10H,1H3,(H,18,22)

InChI Key

FTGFDMQYRMUKFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02742190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-3.00

Polar Surface Area

84.269

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D633-0159 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Proline Kinase Library (2105 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D633-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D633-0159?
Check Price and Availability of D633-0159, 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 D633-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D633-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D633-0159
  • 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 D633-0159 available by request