K832-4081 Screening compound: 7-[4-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4H,5H,6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine

K832-4081 Screening compound: 7-[4-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4H,5H,6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine
K832-4081 Screening compound: 7-[4-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4H,5H,6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-4081
7-[4-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4H,5H,6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine

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

K832-4081

Molecular Formula

C18H17F2N5O2 (C18 H17 F2 N5 O2)

Compound Name

7-[4-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4H,5H,6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine

IUPAC name

(5S7R)-7-[4-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4H5H6H7H-[1234]tetrazolo[15-a]pyrimidine

SMILES

COc1ccc([C@@H](C2)Nc3nnnn3[C@@H]2c(cc2)ccc2OC(F)F)cc1

InChI

InChI=1S/C18H17F2N5O2/c1-26-13-6-2-11(3-7-13)15-10-16(25-18(21-15)22-23-24-25)12-4-8-14(9-5-12)27-17(19)20/h2-9,15-17H,10H2,1H3,(H,21,22,24)/t15-,16-/m0/s1

InChI Key

QUJIBASAZIUATP-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.28

Polar Surface Area

67.694

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

K832-4081 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K832-4081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-4081?
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What is the minimum amount of K832-4081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-4081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-4081
  • 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 K832-4081 available by request