C202-0477 Screening compound: octyl 5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

C202-0477 Screening compound: octyl 5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
C202-0477 Screening compound: octyl 5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0477
octyl 5-methyl-7-(4-nitrophenyl)-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

C202-0477

Molecular Formula

C20H26N6O4 (C20 H26 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCCOC(C1=C(C)Nc2nnnn2C1c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C20H26N6O4/c1-3-4-5-6-7-8-13-30-19(27)17-14(2)21-20-22-23-24-25(20)18(17)15-9-11-16(12-10-15)26(28)29/h9-12,18H,3-8,13H2,1-2H3,(H,21,22,24)/t18-/m0/s1

InChI Key

XZRDWLCDCUCXCX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14730025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.038

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.67

Polar Surface Area

106.896

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C202-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0477?
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What is the minimum amount of C202-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0477
  • 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 C202-0477 available by request