C614-5565 Screening compound: tert-butyl 4-(6-{[4-(cyanomethyl)phenyl]carbamoyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

C614-5565 Screening compound: tert-butyl 4-(6-{[4-(cyanomethyl)phenyl]carbamoyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
C614-5565 Screening compound: tert-butyl 4-(6-{[4-(cyanomethyl)phenyl]carbamoyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-5565
tert-butyl 4-(6-{[4-(cyanomethyl)phenyl]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

C614-5565

Molecular Formula

C33H36N6O4 (C33 H36 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1nn(cc(C(Nc2ccc(CC#N)cc2)=O)c(C(CC2)CCN2C(OC(C)(C)C)=O)n2)c2c1

InChI

InChI=1S/C33H36N6O4/c1-5-42-26-12-8-23(9-13-26)28-20-29-36-30(24-15-18-38(19-16-24)32(41)43-33(2,3)4)27(21-39(29)37-28)31(40)35-25-10-6-22(7-11-25)14-17-34/h6-13,20-21,24H,5,14-16,18-19H2,1-4H3,(H,35,40)

InChI Key

PJOZXVOFUPHZJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.266

Distribution Coefficient, logD

6.265

Water Solubility, LogSw

-5.33

Polar Surface Area

89.950

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C614-5565 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C614-5565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-5565?
Check Price and Availability of C614-5565, 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 C614-5565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-5565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-5565
  • 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 C614-5565 available by request