C614-0994 Screening compound: 3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N~1~-(2,3,4-trimethoxyphenethyl)propanamide

C614-0994 Screening compound: 3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N~1~-(2,3,4-trimethoxyphenethyl)propanamide
C614-0994 Screening compound: 3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N~1~-(2,3,4-trimethoxyphenethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0994
3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N~1~-(2,3,4-trimethoxyphenethyl)propanamide

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

C614-0994

Molecular Formula

C27H33N5O4 (C27 H33 N5 O4)

Compound Name

3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N~1~-(2,3,4-trimethoxyphenethyl)propanamide

IUPAC name

3-{461113-tetramethyl-37810-tetraazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaen-5-yl}-N-[2-(234-trimethoxyphenyl)ethyl]propanamide

SMILES

Cc1cc(C)nc2nn3c(C)c(CCC(NCCc(ccc(OC)c4OC)c4OC)=O)c(C)nc3c12

InChI

InChI=1S/C27H33N5O4/c1-15-14-16(2)29-26-23(15)27-30-17(3)20(18(4)32(27)31-26)9-11-22(33)28-13-12-19-8-10-21(34-5)25(36-7)24(19)35-6/h8,10,14H,9,11-13H2,1-7H3,(H,28,33)

InChI Key

OCYNRPRDDDSJET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

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

3.095

Distribution Coefficient, logD

3.095

Water Solubility, LogSw

-3.38

Polar Surface Area

77.108

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C614-0994 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C614-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0994?
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What is the minimum amount of C614-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0994
  • 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 C614-0994 available by request