F685-0971 Screening compound: 2-[(cyclopropylcarbonyl)amino]-5-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]benzoic acid

F685-0971 Screening compound: 2-[(cyclopropylcarbonyl)amino]-5-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]benzoic acid
F685-0971 Screening compound: 2-[(cyclopropylcarbonyl)amino]-5-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F685-0971
2-[(cyclopropylcarbonyl)amino]-5-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]benzoic acid

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

F685-0971

Molecular Formula

C20H23N5O3 (C20 H23 N5 O3)

Compound Name

2-[(cyclopropylcarbonyl)amino]-5-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]benzoic acid

IUPAC name

n/a

SMILES

OC(c(cc(cc1)N(CCC2)CCN2c2ncccn2)c1NC(C1CC1)=O)=O

InChI

InChI=1S/C20H23N5O3/c26-18(14-3-4-14)23-17-6-5-15(13-16(17)19(27)28)24-9-2-10-25(12-11-24)20-21-7-1-8-22-20/h1,5-8,13-14H,2-4,9-12H2,(H,23,26)(H,27,28)

InChI Key

AWZXRYRZAXFMBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27184844

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.885

Distribution Coefficient, logD

-0.818

Water Solubility, LogSw

-3.33

Polar Surface Area

76.969

Acid Dissociation Constant (pKa)

3.70

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F685-0971 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F685-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F685-0971?
Check Price and Availability of F685-0971, 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 F685-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F685-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F685-0971
  • 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 F685-0971 available by request