C614-5503 Screening compound: tert-butyl 4-{6-[(2,5-difluorophenyl)carbamoyl]-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate

C614-5503 Screening compound: tert-butyl 4-{6-[(2,5-difluorophenyl)carbamoyl]-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate
C614-5503 Screening compound: tert-butyl 4-{6-[(2,5-difluorophenyl)carbamoyl]-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5503
tert-butyl 4-{6-[(2,5-difluorophenyl)carbamoyl]-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-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

C614-5503

Molecular Formula

C31H33F2N5O4 (C31 H33 F2 N5 O4)

Compound Name

tert-butyl 4-{6-[(2,5-difluorophenyl)carbamoyl]-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{6-[(25-difluorophenyl)carbamoyl]-2-(4-ethoxyphenyl)pyrazolo[15-a]pyrimidin-5-yl}piperidine-1-carboxylate

SMILES

CCOc(cc1)ccc1-c1nn(cc(C(Nc(cc(cc2)F)c2F)=O)c(C(CC2)CCN2C(OC(C)(C)C)=O)n2)c2c1

InChI

InChI=1S/C31H33F2N5O4/c1-5-41-22-9-6-19(7-10-22)25-17-27-35-28(20-12-14-37(15-13-20)30(40)42-31(2,3)4)23(18-38(27)36-25)29(39)34-26-16-21(32)8-11-24(26)33/h6-11,16-18,20H,5,12-15H2,1-4H3,(H,34,39)

InChI Key

DLPIZSZRDLUHMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.199

Distribution Coefficient, logD

6.796

Water Solubility, LogSw

-5.51

Polar Surface Area

71.760

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

C614-5503 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C614-5503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5503?
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What is the minimum amount of C614-5503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5503
  • 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 C614-5503 available by request