C202-0774 Screening compound: pentyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

C202-0774 Screening compound: pentyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
C202-0774 Screening compound: pentyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0774
pentyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

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

C202-0774

Molecular Formula

C18H20BrF2N5O3 (C18 H20 BrF2 N5 O3)

Compound Name

pentyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

pentyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4H7H-[1234]tetrazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCCCCOC(C1=C(C)Nc2nnnn2C1c(cc(cc1)Br)c1OC(F)F)=O

InChI

InChI=1S/C18H20BrF2N5O3/c1-3-4-5-8-28-16(27)14-10(2)22-18-23-24-25-26(18)15(14)12-9-11(19)6-7-13(12)29-17(20)21/h6-7,9,15,17H,3-5,8H2,1-2H3,(H,22,23,25)/t15-/m0/s1

InChI Key

HZMUKNUMXISZJJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14730157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.579

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-4.36

Polar Surface Area

80.206

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

-6.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with C202-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0774?
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What is the minimum amount of C202-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0774
  • 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 C202-0774 available by request