C202-1155 Screening compound: butyl 7-(2-chloro-6-fluorophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

C202-1155 Screening compound: butyl 7-(2-chloro-6-fluorophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
C202-1155 Screening compound: butyl 7-(2-chloro-6-fluorophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1155
butyl 7-(2-chloro-6-fluorophenyl)-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

C202-1155

Molecular Formula

C16H17ClFN5O2 (C16 H17 ClFN5 O2)

Compound Name

butyl 7-(2-chloro-6-fluorophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

butyl 7-(2-chloro-6-fluorophenyl)-5-methyl-4H7H-[1234]tetrazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCCCOC(C1=C(C)Nc2nnnn2C1c(c(F)ccc1)c1Cl)=O

InChI

InChI=1S/C16H17ClFN5O2/c1-3-4-8-25-15(24)12-9(2)19-16-20-21-22-23(16)14(12)13-10(17)6-5-7-11(13)18/h5-7,14H,3-4,8H2,1-2H3,(H,19,20,22)/t14-/m0/s1

InChI Key

MBSDYPXXOMSVMJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14730334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

2.771

Water Solubility, LogSw

-3.77

Polar Surface Area

73.514

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-6.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C202-1155 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1155?
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What is the minimum amount of C202-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1155
  • 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 C202-1155 available by request