K623-0308 Screening compound: ethyl 4-[3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

K623-0308 Screening compound: ethyl 4-[3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate
K623-0308 Screening compound: ethyl 4-[3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0308
ethyl 4-[3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

K623-0308

Molecular Formula

C32H42N6O6 (C32 H42 N6 O6)

Compound Name

ethyl 4-[3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{3-[3-(morpholin-4-yl)propanamido]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzoyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(NC(CCN2CCOCC2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C32H42N6O6/c1-2-44-32(42)36-12-10-35(11-13-36)31(41)24-6-7-28(26(19-24)33-29(39)8-9-34-14-16-43-17-15-34)37-20-23-18-25(22-37)27-4-3-5-30(40)38(27)21-23/h3-7,19,23,25H,2,8-18,20-22H2,1H3,(H,33,39)

InChI Key

TVJSODDYMOIVGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.690

Distribution Coefficient, logD

1.660

Water Solubility, LogSw

-2.30

Polar Surface Area

92.588

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.30

K623-0308 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K623-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0308?
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What is the minimum amount of K623-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0308
  • 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 K623-0308 available by request