K610-0388 Screening compound: ethyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate

K610-0388 Screening compound: ethyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
K610-0388 Screening compound: ethyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K610-0388
ethyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-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

K610-0388

Molecular Formula

C23H28F3N5O5 (C23 H28 F3 N5 O5)

Compound Name

ethyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(5R7S)-5-(34-dimethoxyphenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1c(N[C@@H](C[C@@H]2C(F)(F)F)c(cc3)cc(OC)c3OC)n2nc1)=O)=O

InChI

InChI=1S/C23H28F3N5O5/c1-4-36-22(33)30-9-7-29(8-10-30)21(32)15-13-27-31-19(23(24,25)26)12-16(28-20(15)31)14-5-6-17(34-2)18(11-14)35-3/h5-6,11,13,16,19,28H,4,7-10,12H2,1-3H3/t16-,19-/m1/s1

InChI Key

RDSLHHKXYCXTCA-VQIMIIECSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

2.702

Water Solubility, LogSw

-3.01

Polar Surface Area

80.203

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.20

K610-0388 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 K610-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K610-0388?
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What is the minimum amount of K610-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K610-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K610-0388
  • 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 K610-0388 available by request