SD01-0003 Screening compound: 3-{3-[3-(1,3-oxazol-4-yl)-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one

SD01-0003 Screening compound: 3-{3-[3-(1,3-oxazol-4-yl)-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
SD01-0003 Screening compound: 3-{3-[3-(1,3-oxazol-4-yl)-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SD01-0003
3-{3-[3-(1,3-oxazol-4-yl)-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one

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

SD01-0003

Molecular Formula

C22H23N5O4 (C22 H23 N5 O4)

Compound Name

3-{3-[3-(1,3-oxazol-4-yl)-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one

IUPAC name

3-{3-[3-(13-oxazol-4-yl)-1-propyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl]-3-oxopropyl}-23-dihydro-13-benzoxazol-2-one

SMILES

CCCn(c(CC1)c2CN1C(CCN(c(cccc1)c1O1)C1=O)=O)nc2-c1cocn1

InChI

InChI=1S/C22H23N5O4/c1-2-9-27-17-7-10-25(12-15(17)21(24-27)16-13-30-14-23-16)20(28)8-11-26-18-5-3-4-6-19(18)31-22(26)29/h3-6,13-14H,2,7-12H2,1H3

InChI Key

NHVHSFNZGHCUQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.768

Distribution Coefficient, logD

1.768

Water Solubility, LogSw

-2.16

Polar Surface Area

70.867

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

SD01-0003 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 SD01-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SD01-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD01-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD01-0003
  • 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 SD01-0003 available by request