C202-1474 Screening compound: methyl 4-{6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate

C202-1474 Screening compound: methyl 4-{6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
C202-1474 Screening compound: methyl 4-{6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1474
methyl 4-{6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate

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

C202-1474

Molecular Formula

C22H21N5O4 (C22 H21 N5 O4)

Compound Name

methyl 4-{6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate

IUPAC name

methyl 4-{6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H7H-[124]triazolo[15-a]pyrimidin-7-yl}benzoate

SMILES

CC(Nc1ncnn1C1c(cc2)ccc2C(OC)=O)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C22H21N5O4/c1-13-18(20(28)26-16-6-4-5-7-17(16)30-2)19(27-22(25-13)23-12-24-27)14-8-10-15(11-9-14)21(29)31-3/h4-12,19H,1-3H3,(H,26,28)(H,23,24,25)/t19-/m0/s1

InChI Key

JJLXTDDOHNWKPP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04066176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.46

Polar Surface Area

89.188

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C202-1474 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-1474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1474?
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What is the minimum amount of C202-1474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1474
  • 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 C202-1474 available by request