C999-0422 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[4-(diethylamino)-2-methylphenyl]propanamide

C999-0422 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[4-(diethylamino)-2-methylphenyl]propanamide
C999-0422 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[4-(diethylamino)-2-methylphenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0422
3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[4-(diethylamino)-2-methylphenyl]propanamide

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

C999-0422

Molecular Formula

C27H39N5O (C27 H39 N5 O)

Compound Name

3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[4-(diethylamino)-2-methylphenyl]propanamide

IUPAC name

3-{1-tert-butyl-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl}-N-[4-(diethylamino)-2-methylphenyl]propanamide

SMILES

CCN(CC)c(cc1)cc(C)c1NC(CCc1c(C)nc2n(C(C)(C)C)nc(C)c2c1C)=O

InChI

InChI=1S/C27H39N5O/c1-10-31(11-2)21-12-14-23(17(3)16-21)29-24(33)15-13-22-18(4)25-20(6)30-32(27(7,8)9)26(25)28-19(22)5/h12,14,16H,10-11,13,15H2,1-9H3,(H,29,33)

InChI Key

MOTLOYKDFSWWIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.759

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-4.78

Polar Surface Area

50.094

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

C999-0422 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C999-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0422?
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What is the minimum amount of C999-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0422
  • 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 C999-0422 available by request