K832-4070 Screening compound: 5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine

K832-4070 Screening compound: 5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine
K832-4070 Screening compound: 5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-4070
5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4H,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

K832-4070

Molecular Formula

C19H16ClF2N5O2 (C19 H16 ClF2 N5 O2)

Compound Name

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

IUPAC name

5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4H7H-[1234]tetrazolo[15-a]pyrimidine

SMILES

CCOc(ccc(C1=CC(c(cc2)ccc2OC(F)F)n2nnnc2N1)c1)c1Cl

InChI

InChI=1S/C19H16ClF2N5O2/c1-2-28-17-8-5-12(9-14(17)20)15-10-16(27-19(23-15)24-25-26-27)11-3-6-13(7-4-11)29-18(21)22/h3-10,16,18H,2H2,1H3,(H,23,24,26)/t16-/m1/s1

InChI Key

TWIDPHIOIOPPEB-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05030785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.65

Polar Surface Area

66.892

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-5.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

K832-4070 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K832-4070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-4070?
Check Price and Availability of K832-4070, 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 K832-4070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-4070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-4070
  • 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 K832-4070 available by request