C700-1494 Screening compound: 2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]butanamide

C700-1494 Screening compound: 2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]butanamide
C700-1494 Screening compound: 2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1494
2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]butanamide

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

C700-1494

Molecular Formula

C20H25N3O2S (C20 H25 N3 O2 S)

Compound Name

2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]butanamide

IUPAC name

2-({4-oxo-3H4H5H6H7H-cyclopenta[d]pyrimidin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]butanamide

SMILES

CCC(C(Nc1ccc(C(C)C)cc1)=O)SC(N1)=NC(CCC2)=C2C1=O

InChI

InChI=1S/C20H25N3O2S/c1-4-17(19(25)21-14-10-8-13(9-11-14)12(2)3)26-20-22-16-7-5-6-15(16)18(24)23-20/h8-12,17H,4-7H2,1-3H3,(H,21,25)(H,22,23,24)/t17-/m0/s1

InChI Key

OONDVHDHNVYKLX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14785497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

3.966

Water Solubility, LogSw

-3.90

Polar Surface Area

58.201

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

C700-1494 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C700-1494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1494?
Check Price and Availability of C700-1494, 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 C700-1494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1494
  • 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 C700-1494 available by request