8010-3729 Screening compound: 4-(6-amino-5-cyano-3-propyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-chlorobenzoate

8010-3729 Screening compound: 4-(6-amino-5-cyano-3-propyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-chlorobenzoate
8010-3729 Screening compound: 4-(6-amino-5-cyano-3-propyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3729
4-(6-amino-5-cyano-3-propyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-chlorobenzoate

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

8010-3729

Molecular Formula

C23H19ClN4O3 (C23 H19 ClN4 O3)

Compound Name

4-(6-amino-5-cyano-3-propyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-chlorobenzoate

IUPAC name

4-{6-amino-5-cyano-3-propyl-1H4H-pyrano[23-c]pyrazol-4-yl}phenyl 2-chlorobenzoate

SMILES

CCCc1n[nH]c2c1C(c(cc1)ccc1OC(c(cccc1)c1Cl)=O)C(C#N)=C(N)O2

InChI

InChI=1S/C23H19ClN4O3/c1-2-5-18-20-19(16(12-25)21(26)31-22(20)28-27-18)13-8-10-14(11-9-13)30-23(29)15-6-3-4-7-17(15)24/h3-4,6-11,19H,2,5,26H2,1H3,(H,27,28)/t19-/m0/s1

InChI Key

JNRQGNOGTFRUCO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01872111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-4.77

Polar Surface Area

91.618

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.39

References: we are preparing a list of scientific research reports with 8010-3729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3729?
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What is the minimum amount of 8010-3729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3729
  • 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 8010-3729 available by request