5695-0827 Screening compound: 3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}propyl thiophene-2-carboxylate

5695-0827 Screening compound: 3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}propyl thiophene-2-carboxylate
5695-0827 Screening compound: 3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}propyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0827
3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}propyl thiophene-2-carboxylate

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

5695-0827

Molecular Formula

C22H18ClN3O2S (C22 H18 ClN3 O2 S)

Compound Name

3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}propyl thiophene-2-carboxylate

IUPAC name

3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}propyl thiophene-2-carboxylate

SMILES

O=C(c1cccs1)OCCCNc1nc(-c(cc2)ccc2Cl)nc2ccccc12

InChI

InChI=1S/C22H18ClN3O2S/c23-16-10-8-15(9-11-16)20-25-18-6-2-1-5-17(18)21(26-20)24-12-4-13-28-22(27)19-7-3-14-29-19/h1-3,5-11,14H,4,12-13H2,(H,24,25,26)

InChI Key

NDCWJNQSXMXMPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03847041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.840

Distribution Coefficient, logD

6.574

Water Solubility, LogSw

-6.59

Polar Surface Area

51.035

Acid Dissociation Constant (pKa)

20.13

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5695-0827 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5695-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0827?
Check Price and Availability of 5695-0827, 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 5695-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0827
  • 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 5695-0827 available by request