C550-0217 Screening compound: (4-nitrophenyl)methyl 7-(4-hydroxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

C550-0217 Screening compound: (4-nitrophenyl)methyl 7-(4-hydroxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
C550-0217 Screening compound: (4-nitrophenyl)methyl 7-(4-hydroxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C550-0217
(4-nitrophenyl)methyl 7-(4-hydroxyphenyl)-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

C550-0217

Molecular Formula

C19H16N6O5 (C19 H16 N6 O5)

Compound Name

(4-nitrophenyl)methyl 7-(4-hydroxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

(4-nitrophenyl)methyl 7-(4-hydroxyphenyl)-5-methyl-4H7H-[1234]tetrazolo[15-a]pyrimidine-6-carboxylate

SMILES

CC(Nc1nnnn1C1c(cc2)ccc2O)=C1C(OCc(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C19H16N6O5/c1-11-16(18(27)30-10-12-2-6-14(7-3-12)25(28)29)17(13-4-8-15(26)9-5-13)24-19(20-11)21-22-23-24/h2-9,17,26H,10H2,1H3,(H,20,21,23)/t17-/m0/s1

InChI Key

JOZCEYJPXBFWDU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14770116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.469

Distribution Coefficient, logD

1.733

Water Solubility, LogSw

-2.82

Polar Surface Area

124.323

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C550-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C550-0217?
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What is the minimum amount of C550-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C550-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C550-0217
  • 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 C550-0217 available by request