6047-0657 Screening compound: METHYL 6-BENZOYL-7-(3,4-DIMETHOXYPHENYL)-4H,7H-[1,2,3,4]TETRAZOLO[1,5-A]PYRIMIDINE-5-CARBOXYLATE

6047-0657 Screening compound: METHYL 6-BENZOYL-7-(3,4-DIMETHOXYPHENYL)-4H,7H-[1,2,3,4]TETRAZOLO[1,5-A]PYRIMIDINE-5-CARBOXYLATE
6047-0657 Screening compound: METHYL 6-BENZOYL-7-(3,4-DIMETHOXYPHENYL)-4H,7H-[1,2,3,4]TETRAZOLO[1,5-A]PYRIMIDINE-5-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6047-0657
METHYL 6-BENZOYL-7-(3,4-DIMETHOXYPHENYL)-4H,7H-[1,2,3,4]TETRAZOLO[1,5-A]PYRIMIDINE-5-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

6047-0657

Molecular Formula

C21H19N5O5 (C21 H19 N5 O5)

Compound Name

METHYL 6-BENZOYL-7-(3,4-DIMETHOXYPHENYL)-4H,7H-[1,2,3,4]TETRAZOLO[1,5-A]PYRIMIDINE-5-CARBOXYLATE

IUPAC name

n/a

SMILES

COC(C(Nc1nnnn1C1c(cc2)cc(OC)c2OC)=C1C(c1ccccc1)=O)=O

InChI

InChI=1S/C21H19N5O5/c1-29-14-10-9-13(11-15(14)30-2)18-16(19(27)12-7-5-4-6-8-12)17(20(28)31-3)22-21-23-24-25-26(18)21/h4-11,18H,1-3H3,(H,22,23,25)/t18-/m1/s1

InChI Key

VPZLIVVFXMYDMQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03779591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.407

Distribution Coefficient, logD

1.633

Water Solubility, LogSw

-3.17

Polar Surface Area

102.870

Acid Dissociation Constant (pKa)

6.71

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

6047-0657 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6047-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6047-0657?
Check Price and Availability of 6047-0657, 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 6047-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6047-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6047-0657
  • 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 6047-0657 available by request