K638-0053 Screening compound: 3-[6-amino-3-(4-bromophenyl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate

K638-0053 Screening compound: 3-[6-amino-3-(4-bromophenyl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate
K638-0053 Screening compound: 3-[6-amino-3-(4-bromophenyl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K638-0053
3-[6-amino-3-(4-bromophenyl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl 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

K638-0053

Molecular Formula

C24H15BrN4O3S (C24 H15 BrN4 O3 S)

Compound Name

3-[6-amino-3-(4-bromophenyl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate

IUPAC name

3-[6-amino-3-(4-bromophenyl)-5-cyano-1H4H-pyrano[23-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate

SMILES

NC(Oc1c(C2c3cc(OC(c4cccs4)=O)ccc3)c(-c(cc3)ccc3Br)n[nH]1)=C2C#N

InChI

InChI=1S/C24H15BrN4O3S/c25-15-8-6-13(7-9-15)21-20-19(17(12-26)22(27)32-23(20)29-28-21)14-3-1-4-16(11-14)31-24(30)18-5-2-10-33-18/h1-11,19H,27H2,(H,28,29)/t19-/m0/s1

InChI Key

FVOPNTYEHPZRNU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02652401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.765

Distribution Coefficient, logD

4.765

Water Solubility, LogSw

-4.97

Polar Surface Area

91.869

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with K638-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K638-0053?
Check Price and Availability of K638-0053, 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 K638-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K638-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K638-0053
  • 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 K638-0053 available by request