V030-5118 Screening compound: 1-(4-butylbenzoyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

V030-5118 Screening compound: 1-(4-butylbenzoyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane
V030-5118 Screening compound: 1-(4-butylbenzoyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5118
1-(4-butylbenzoyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

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

V030-5118

Molecular Formula

C32H39ClN6O (C32 H39 ClN6 O)

Compound Name

1-(4-butylbenzoyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

IUPAC name

1-(4-butylbenzoyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepane

SMILES

CCCCc(cc1)ccc1C(N(CCC1)CCN1c1c(cnn2-c3cccc(Cl)c3)c2nc(CCC(C)C)n1)=O

InChI

InChI=1S/C32H39ClN6O/c1-4-5-8-24-12-14-25(15-13-24)32(40)38-18-7-17-37(19-20-38)30-28-22-34-39(27-10-6-9-26(33)21-27)31(28)36-29(35-30)16-11-23(2)3/h6,9-10,12-15,21-23H,4-5,7-8,11,16-20H2,1-3H3

InChI Key

LWTYOMUEYRPTTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19935312

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.458

Distribution Coefficient, logD

8.335

Water Solubility, LogSw

-6.49

Polar Surface Area

54.400

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

V030-5118 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V030-5118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5118?
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What is the minimum amount of V030-5118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5118
  • 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 V030-5118 available by request