C200-7872 Screening compound: 3-{8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(prop-2-en-1-yl)propanamide

C200-7872 Screening compound: 3-{8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(prop-2-en-1-yl)propanamide
C200-7872 Screening compound: 3-{8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(prop-2-en-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7872
3-{8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(prop-2-en-1-yl)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

C200-7872

Molecular Formula

C16H15FN4O2 (C16 H15 FN4 O2)

Compound Name

3-{8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(prop-2-en-1-yl)propanamide

IUPAC name

3-{8-fluoro-4-oxo-3H4H5H-pyrimido[54-b]indol-3-yl}-N-(prop-2-en-1-yl)propanamide

SMILES

C=CCNC(CCN(C=Nc1c2[nH]c(cc3)c1cc3F)C2=O)=O

InChI

InChI=1S/C16H15FN4O2/c1-2-6-18-13(22)5-7-21-9-19-14-11-8-10(17)3-4-12(11)20-15(14)16(21)23/h2-4,8-9,20H,1,5-7H2,(H,18,22)

InChI Key

DZEHCIUHINLJOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.681

Distribution Coefficient, logD

0.681

Water Solubility, LogSw

-2.11

Polar Surface Area

58.860

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C200-7872 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-7872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7872?
Check Price and Availability of C200-7872, 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 C200-7872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7872
  • 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 C200-7872 available by request