C614-5487 Screening compound: tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-ethylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

C614-5487 Screening compound: tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-ethylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
C614-5487 Screening compound: tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-ethylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5487
tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-ethylphenyl)carbamoyl]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

C614-5487

Molecular Formula

C33H39N5O4 (C33 H39 N5 O4)

Compound Name

tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-ethylphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(3-ethylphenyl)carbamoyl]pyrazolo[15-a]pyrimidin-5-yl]piperidine-1-carboxylate

SMILES

CCc1cccc(NC(c(c(C(CC2)CCN2C(OC(C)(C)C)=O)nc2c3)cn2nc3-c(cc2)ccc2OCC)=O)c1

InChI

InChI=1S/C33H39N5O4/c1-6-22-9-8-10-25(19-22)34-31(39)27-21-38-29(20-28(36-38)23-11-13-26(14-12-23)41-7-2)35-30(27)24-15-17-37(18-16-24)32(40)42-33(3,4)5/h8-14,19-21,24H,6-7,15-18H2,1-5H3,(H,34,39)

InChI Key

DDNSYAJHZPEPAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.623

Distribution Coefficient, logD

7.623

Water Solubility, LogSw

-5.50

Polar Surface Area

72.458

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.40

C614-5487 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C614-5487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5487?
Check Price and Availability of C614-5487, 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 C614-5487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5487
  • 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 C614-5487 available by request